PUMA publications for /tag/kaestner%20theoretischehttps://puma.ub.uni-stuttgart.de/tag/kaestner%20theoretischePUMA RSS feed for /tag/kaestner%20theoretische2024-03-28T16:01:22+01:00- Chirality Transfer of Stereogenic Boron Centers Enabled by a SN2-Type Mechanismhttps://puma.ub.uni-stuttgart.de/bibtex/2759c397213c9bdd1124a329093bac8e2/theochemtheochem2024-02-20T08:09:27+01:00chemie kaestner kästner stuttgart theochem theoretische <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Yannick Stöckl" itemprop="url" href="/person/13eee08088a19726e8e9c815b318bdddd/author/0"><span itemprop="name">Y. Stöckl</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Katrin Gugeler" itemprop="url" href="/person/13eee08088a19726e8e9c815b318bdddd/author/1"><span itemprop="name">K. Gugeler</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Celine M. Holzwarth" itemprop="url" href="/person/13eee08088a19726e8e9c815b318bdddd/author/2"><span itemprop="name">C. Holzwarth</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Wolfgang Frey" itemprop="url" href="/person/13eee08088a19726e8e9c815b318bdddd/author/3"><span itemprop="name">W. Frey</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Sascha Wegner" itemprop="url" href="/person/13eee08088a19726e8e9c815b318bdddd/author/4"><span itemprop="name">S. Wegner</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Birgit Claasen" itemprop="url" href="/person/13eee08088a19726e8e9c815b318bdddd/author/5"><span itemprop="name">B. Claasen</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Anna Zens" itemprop="url" href="/person/13eee08088a19726e8e9c815b318bdddd/author/6"><span itemprop="name">A. Zens</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Dietrich Gudat" itemprop="url" href="/person/13eee08088a19726e8e9c815b318bdddd/author/7"><span itemprop="name">D. Gudat</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Christian P. Sindlinger" itemprop="url" href="/person/13eee08088a19726e8e9c815b318bdddd/author/8"><span itemprop="name">C. Sindlinger</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Johannes Kästner" itemprop="url" href="/person/13eee08088a19726e8e9c815b318bdddd/author/9"><span itemprop="name">J. Kästner</span></a></span></span> and 1 other author(s). </span><span class="additional-entrytype-information"><span itemtype="http://schema.org/PublicationIssue" itemscope="itemscope" itemprop="isPartOf"><em><span itemprop="journal">Organometallics</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">43 </span></span>(<span itemprop="issueNumber">3</span>):
<span itemprop="pagination">330-340</span></em> </span>(<em><span>2024<meta content="2024" itemprop="datePublished"/></span></em>)</span>Tue Feb 20 08:09:27 CET 2024Organometallics3330-340Chirality Transfer of Stereogenic Boron Centers Enabled by a SN2-Type Mechanism432024chemie kaestner kästner stuttgart theochem theoretische
- Chirality Transfer of Stereogenic Boron Centers Enabled by a S$_N$2-Type Mechanismhttps://puma.ub.uni-stuttgart.de/bibtex/2759c397213c9bdd1124a329093bac8e2/kgugelerkgugeler2024-02-20T08:09:27+01:00chemie kaestner kästner myown stuttgart theochem theoretische <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Yannick Stöckl" itemprop="url" href="/person/13eee08088a19726e8e9c815b318bdddd/author/0"><span itemprop="name">Y. Stöckl</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Katrin Gugeler" itemprop="url" href="/person/13eee08088a19726e8e9c815b318bdddd/author/1"><span itemprop="name">K. Gugeler</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Celine M. Holzwarth" itemprop="url" href="/person/13eee08088a19726e8e9c815b318bdddd/author/2"><span itemprop="name">C. Holzwarth</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Wolfgang Frey" itemprop="url" href="/person/13eee08088a19726e8e9c815b318bdddd/author/3"><span itemprop="name">W. Frey</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Sascha Wegner" itemprop="url" href="/person/13eee08088a19726e8e9c815b318bdddd/author/4"><span itemprop="name">S. Wegner</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Birgit Claasen" itemprop="url" href="/person/13eee08088a19726e8e9c815b318bdddd/author/5"><span itemprop="name">B. Claasen</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Anna Zens" itemprop="url" href="/person/13eee08088a19726e8e9c815b318bdddd/author/6"><span itemprop="name">A. Zens</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Dietrich Gudat" itemprop="url" href="/person/13eee08088a19726e8e9c815b318bdddd/author/7"><span itemprop="name">D. Gudat</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Christian P. Sindlinger" itemprop="url" href="/person/13eee08088a19726e8e9c815b318bdddd/author/8"><span itemprop="name">C. Sindlinger</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Johannes Kästner" itemprop="url" href="/person/13eee08088a19726e8e9c815b318bdddd/author/9"><span itemprop="name">J. Kästner</span></a></span></span> and 1 other author(s). </span><span class="additional-entrytype-information"><span itemtype="http://schema.org/PublicationIssue" itemscope="itemscope" itemprop="isPartOf"><em><span itemprop="journal">Organometallics</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">43 </span></span>(<span itemprop="issueNumber">3</span>):
<span itemprop="pagination">330-340</span></em> </span>(<em><span>2024<meta content="2024" itemprop="datePublished"/></span></em>)</span>Tue Feb 20 08:09:27 CET 2024Organometallics3330-340Chirality Transfer of Stereogenic Boron Centers Enabled by a S$_N$2-Type Mechanism432024chemie kaestner kästner myown stuttgart theochem theoretische
- Neutral and Cationic Molybdenum Imido Alkylidene Cyclic Alkyl Amino Carbene (CAAC) Complexes for Olefin Metathesishttps://puma.ub.uni-stuttgart.de/bibtex/227c7e01252e5db595b24a2bfa3c1c651/kgugelerkgugeler2023-11-28T14:53:33+01:00chemie kaestner kästner myown stuttgart theochem theoretische <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Koushani Kundu" itemprop="url" href="/person/1b464f4be5da7e9da4c2bcd1be935d43c/author/0"><span itemprop="name">K. Kundu</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Janis V. Musso" itemprop="url" href="/person/1b464f4be5da7e9da4c2bcd1be935d43c/author/1"><span itemprop="name">J. Musso</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Mathis J. Benedikter" itemprop="url" href="/person/1b464f4be5da7e9da4c2bcd1be935d43c/author/2"><span itemprop="name">M. Benedikter</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Wolfgang Frey" itemprop="url" href="/person/1b464f4be5da7e9da4c2bcd1be935d43c/author/3"><span itemprop="name">W. Frey</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Katrin Gugeler" itemprop="url" href="/person/1b464f4be5da7e9da4c2bcd1be935d43c/author/4"><span itemprop="name">K. Gugeler</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Johannes Kästner" itemprop="url" href="/person/1b464f4be5da7e9da4c2bcd1be935d43c/author/5"><span itemprop="name">J. Kästner</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Michael R. Buchmeiser" itemprop="url" href="/person/1b464f4be5da7e9da4c2bcd1be935d43c/author/6"><span itemprop="name">M. Buchmeiser</span></a></span></span>. </span><span class="additional-entrytype-information"><span itemtype="http://schema.org/PublicationIssue" itemscope="itemscope" itemprop="isPartOf"><em><span itemprop="journal">Chem. Eur. J.</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">29 </span></span>(<span itemprop="issueNumber">52</span>):
<span itemprop="pagination">e202301818</span></em> </span>(<em><span>2023<meta content="2023" itemprop="datePublished"/></span></em>)</span>Tue Nov 28 14:53:33 CET 2023Chem. Eur. J.52e202301818Neutral and Cationic Molybdenum Imido Alkylidene Cyclic Alkyl Amino Carbene {(CAAC)} Complexes for Olefin Metathesis292023chemie kaestner kästner myown stuttgart theochem theoretische
- Gas-phase C_60H_n^+q (n = 0–4, q = 0,1) fullerenes and fulleranes: spectroscopic simulations shed light on cosmic molecular structureshttps://puma.ub.uni-stuttgart.de/bibtex/2aa558fdb8ef64168feda7379bad88fc0/kgugelerkgugeler2023-09-28T13:08:16+02:00chemie kaestner kästner stuttgart theochem theoretische <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Ricardo R. Oliveira" itemprop="url" href="/person/160c9e58dfa88aaace94b5ee7c4b265db/author/0"><span itemprop="name">R. Oliveira</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="G. Molpeceres" itemprop="url" href="/person/160c9e58dfa88aaace94b5ee7c4b265db/author/1"><span itemprop="name">G. Molpeceres</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Ricardo Montserrat" itemprop="url" href="/person/160c9e58dfa88aaace94b5ee7c4b265db/author/2"><span itemprop="name">R. Montserrat</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Felipe Fantuzzi" itemprop="url" href="/person/160c9e58dfa88aaace94b5ee7c4b265db/author/3"><span itemprop="name">F. Fantuzzi</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Alexandre B. Rocha" itemprop="url" href="/person/160c9e58dfa88aaace94b5ee7c4b265db/author/4"><span itemprop="name">A. Rocha</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Johannes Kästner" itemprop="url" href="/person/160c9e58dfa88aaace94b5ee7c4b265db/author/5"><span itemprop="name">J. Kästner</span></a></span></span>. </span><span class="additional-entrytype-information"><span itemtype="http://schema.org/PublicationIssue" itemscope="itemscope" itemprop="isPartOf"><em><span itemprop="journal">Phys. Chem. Chem. Phys.</span>, </em> </span>(<em><span>2023<meta content="2023" itemprop="datePublished"/></span></em>)</span>Thu Sep 28 13:08:16 CEST 2023Phys. Chem. Chem. Phys.25746-25760Gas-phase {C_{60}H_n^{+q}} (n = 0–4, q = 0,1) fullerenes and fulleranes: spectroscopic simulations shed light on cosmic molecular structures252023chemie kaestner kästner stuttgart theochem theoretische
- Cooperative Lewis Acid-1,2,3-Triazolium-Aryloxide Catalysis: Pyrazolone Addition to Nitroolefins as Entry to Diaminoamideshttps://puma.ub.uni-stuttgart.de/bibtex/26bdbb314ec1244626eb9567971566720/kgugelerkgugeler2023-09-15T09:35:52+02:00chemie kaestner kästner stuttgart theochem theoretische <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Daniel M. Wanner" itemprop="url" href="/person/143f680a87aed179689fc6f0a4796612d/author/0"><span itemprop="name">D. Wanner</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Patrick M. Becker" itemprop="url" href="/person/143f680a87aed179689fc6f0a4796612d/author/1"><span itemprop="name">P. Becker</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Simon Suhr" itemprop="url" href="/person/143f680a87aed179689fc6f0a4796612d/author/2"><span itemprop="name">S. Suhr</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Nick Wannenmacher" itemprop="url" href="/person/143f680a87aed179689fc6f0a4796612d/author/3"><span itemprop="name">N. Wannenmacher</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Slava Ziegler" itemprop="url" href="/person/143f680a87aed179689fc6f0a4796612d/author/4"><span itemprop="name">S. Ziegler</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Justin Herrmann" itemprop="url" href="/person/143f680a87aed179689fc6f0a4796612d/author/5"><span itemprop="name">J. Herrmann</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Felix Willig" itemprop="url" href="/person/143f680a87aed179689fc6f0a4796612d/author/6"><span itemprop="name">F. Willig</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Julia Gabler" itemprop="url" href="/person/143f680a87aed179689fc6f0a4796612d/author/7"><span itemprop="name">J. Gabler</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Khushbu Jangid" itemprop="url" href="/person/143f680a87aed179689fc6f0a4796612d/author/8"><span itemprop="name">K. Jangid</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Juliane Schmid" itemprop="url" href="/person/143f680a87aed179689fc6f0a4796612d/author/9"><span itemprop="name">J. Schmid</span></a></span></span> and 5 other author(s). </span><span class="additional-entrytype-information"><span itemtype="http://schema.org/PublicationIssue" itemscope="itemscope" itemprop="isPartOf"><em><span itemprop="journal">Angew. Chem. Int. Ed.</span>, </em> </span>(<em><span>2023<meta content="2023" itemprop="datePublished"/></span></em>)</span>Fri Sep 15 09:35:52 CEST 2023Angew. Chem. Int. Ed.e202307317Cooperative Lewis Acid-1,2,3-Triazolium-Aryloxide Catalysis: Pyrazolone Addition to Nitroolefins as Entry to Diaminoamides622023chemie kaestner kästner stuttgart theochem theoretische
- Floating in Space: How to Treat the Weak Interaction between CO Molecules in Interstellar Iceshttps://puma.ub.uni-stuttgart.de/bibtex/2865343473d0524a55a737e3e93df38d3/kgugelerkgugeler2023-09-15T09:33:13+02:00chemie kaestner kästner stuttgart theochem theoretische <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Brian C. Ferrari" itemprop="url" href="/person/18b3710da329bd05b98e9ccf2f706bbe9/author/0"><span itemprop="name">B. Ferrari</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="G. Molpeceres" itemprop="url" href="/person/18b3710da329bd05b98e9ccf2f706bbe9/author/1"><span itemprop="name">G. Molpeceres</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Johannes Kästner" itemprop="url" href="/person/18b3710da329bd05b98e9ccf2f706bbe9/author/2"><span itemprop="name">J. Kästner</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Yuri Aikawa" itemprop="url" href="/person/18b3710da329bd05b98e9ccf2f706bbe9/author/3"><span itemprop="name">Y. Aikawa</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Marc van Hemert" itemprop="url" href="/person/18b3710da329bd05b98e9ccf2f706bbe9/author/4"><span itemprop="name">M. van Hemert</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="J. Meyer" itemprop="url" href="/person/18b3710da329bd05b98e9ccf2f706bbe9/author/5"><span itemprop="name">J. Meyer</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Thanja Lamberts" itemprop="url" href="/person/18b3710da329bd05b98e9ccf2f706bbe9/author/6"><span itemprop="name">T. Lamberts</span></a></span></span>. </span><span class="additional-entrytype-information"><span itemtype="http://schema.org/PublicationIssue" itemscope="itemscope" itemprop="isPartOf"><em><span itemprop="journal">ACS Earth and Space Chem.</span>, </em> </span>(<em><span>2023<meta content="2023" itemprop="datePublished"/></span></em>)</span>Fri Sep 15 09:33:13 CEST 2023ACS Earth and Space Chem.1423-1432Floating in Space: How to Treat the Weak Interaction between {CO} Molecules in Interstellar Ices72023chemie kaestner kästner stuttgart theochem theoretische
- Use of the N–O Bonds in N-Mesyloxyamides and N-Mesyloxyimides To Gain Access to 5-Alkoxy-3,4-dialkyloxazol-2-ones and 3-Hetero-Substituted Succinimides: A Combined Experimental and Theoretical Studyhttps://puma.ub.uni-stuttgart.de/bibtex/2fe432bff3e18e905e35e1c6d83224e5f/theochemtheochem2023-07-28T17:12:58+02:00chemie from:kgugeler kaestner pn3 pn3-4(II) kästner theoretische EXC2075 stuttgart theochem <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Lucca Pfitzer" itemprop="url" href="/person/16495de6a63a68795adaeec89fea4b0c6/author/0"><span itemprop="name">L. Pfitzer</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Juliane Heitkämper" itemprop="url" href="/person/16495de6a63a68795adaeec89fea4b0c6/author/1"><span itemprop="name">J. Heitkämper</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Johannes Kästner" itemprop="url" href="/person/16495de6a63a68795adaeec89fea4b0c6/author/2"><span itemprop="name">J. Kästner</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="R. Peters" itemprop="url" href="/person/16495de6a63a68795adaeec89fea4b0c6/author/3"><span itemprop="name">R. Peters</span></a></span></span>. </span><span class="additional-entrytype-information"><span itemtype="http://schema.org/PublicationIssue" itemscope="itemscope" itemprop="isPartOf"><em><span itemprop="journal">Synthesis</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">55 </span></span>(<span itemprop="issueNumber">26</span>):
<span itemprop="pagination">2460-2472</span></em> </span>(<em><span>2023<meta content="2023" itemprop="datePublished"/></span></em>)</span>Fri Jul 28 17:12:58 CEST 2023Synthesis262460-2472Use of the {N–O} Bonds in {N}-Mesyloxyamides and {N}-Mesyloxyimides To Gain Access to 5-Alkoxy-3,4-dialkyloxazol-2-ones and 3-Hetero-Substituted Succinimides: A Combined Experimental and Theoretical Study552023chemie from:kgugeler kaestner pn3 pn3-4(II) kästner theoretische EXC2075 stuttgart theochem
- Performance of two complementary machine-learned potentials in modelling chemically complex systemshttps://puma.ub.uni-stuttgart.de/bibtex/200d4f32cd33606a854d7340f00d60e34/theochemtheochem2023-07-28T17:12:09+02:00chemie from:kgugeler pn6-a1 kaestner kästner pn6 theoretische EXC2075 stuttgart theochem <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Konstantin Gubaev" itemprop="url" href="/person/177490c81feaefdacd3f9a22e021dcbd6/author/0"><span itemprop="name">K. Gubaev</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Viktor Zaverkin" itemprop="url" href="/person/177490c81feaefdacd3f9a22e021dcbd6/author/1"><span itemprop="name">V. Zaverkin</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Prashanth Srinivasan" itemprop="url" href="/person/177490c81feaefdacd3f9a22e021dcbd6/author/2"><span itemprop="name">P. Srinivasan</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Andrew Ian Duff" itemprop="url" href="/person/177490c81feaefdacd3f9a22e021dcbd6/author/3"><span itemprop="name">A. Duff</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Johannes Kästner" itemprop="url" href="/person/177490c81feaefdacd3f9a22e021dcbd6/author/4"><span itemprop="name">J. Kästner</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Blazej Grabowski" itemprop="url" href="/person/177490c81feaefdacd3f9a22e021dcbd6/author/5"><span itemprop="name">B. Grabowski</span></a></span></span>. </span><span class="additional-entrytype-information"><span itemtype="http://schema.org/PublicationIssue" itemscope="itemscope" itemprop="isPartOf"><em><span itemprop="journal">Npj Comput. Mater.</span>, </em> </span>(<em><span>2023<meta content="2023" itemprop="datePublished"/></span></em>)</span>Fri Jul 28 17:12:09 CEST 2023Npj Comput. Mater.129Performance of two complementary machine-learned potentials in modelling chemically complex systems92023chemie from:kgugeler pn6-a1 kaestner kästner pn6 theoretische EXC2075 stuttgart theochem
- Use of the N–O Bonds in N-Mesyloxyamides and N-Mesyloxyimides To Gain Access to 5-Alkoxy-3,4-dialkyloxazol-2-ones and 3-Hetero-Substituted Succinimides: A Combined Experimental and Theoretical Studyhttps://puma.ub.uni-stuttgart.de/bibtex/2fe432bff3e18e905e35e1c6d83224e5f/kgugelerkgugeler2023-07-28T16:54:30+02:00EXC2075 chemie kaestner kästner pn3 pn3-4(II) stuttgart theochem theoretische <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Lucca Pfitzer" itemprop="url" href="/person/16495de6a63a68795adaeec89fea4b0c6/author/0"><span itemprop="name">L. Pfitzer</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Juliane Heitkämper" itemprop="url" href="/person/16495de6a63a68795adaeec89fea4b0c6/author/1"><span itemprop="name">J. Heitkämper</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Johannes Kästner" itemprop="url" href="/person/16495de6a63a68795adaeec89fea4b0c6/author/2"><span itemprop="name">J. Kästner</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="R. Peters" itemprop="url" href="/person/16495de6a63a68795adaeec89fea4b0c6/author/3"><span itemprop="name">R. Peters</span></a></span></span>. </span><span class="additional-entrytype-information"><span itemtype="http://schema.org/PublicationIssue" itemscope="itemscope" itemprop="isPartOf"><em><span itemprop="journal">Synthesis</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">55 </span></span>(<span itemprop="issueNumber">26</span>):
<span itemprop="pagination">2460-2472</span></em> </span>(<em><span>2023<meta content="2023" itemprop="datePublished"/></span></em>)</span>Fri Jul 28 16:54:30 CEST 2023Synthesis262460-2472Use of the {N–O} Bonds in {N}-Mesyloxyamides and {N}-Mesyloxyimides To Gain Access to 5-Alkoxy-3,4-dialkyloxazol-2-ones and 3-Hetero-Substituted Succinimides: A Combined Experimental and Theoretical Study552023EXC2075 chemie kaestner kästner pn3 pn3-4(II) stuttgart theochem theoretische
- Performance of two complementary machine-learned potentials in modelling chemically complex systemshttps://puma.ub.uni-stuttgart.de/bibtex/200d4f32cd33606a854d7340f00d60e34/kgugelerkgugeler2023-07-28T16:50:10+02:00EXC2075 chemie kaestner kästner pn6 pn6-a1 stuttgart theochem theoretische <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Konstantin Gubaev" itemprop="url" href="/person/177490c81feaefdacd3f9a22e021dcbd6/author/0"><span itemprop="name">K. Gubaev</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Viktor Zaverkin" itemprop="url" href="/person/177490c81feaefdacd3f9a22e021dcbd6/author/1"><span itemprop="name">V. Zaverkin</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Prashanth Srinivasan" itemprop="url" href="/person/177490c81feaefdacd3f9a22e021dcbd6/author/2"><span itemprop="name">P. Srinivasan</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Andrew Ian Duff" itemprop="url" href="/person/177490c81feaefdacd3f9a22e021dcbd6/author/3"><span itemprop="name">A. Duff</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Johannes Kästner" itemprop="url" href="/person/177490c81feaefdacd3f9a22e021dcbd6/author/4"><span itemprop="name">J. Kästner</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Blazej Grabowski" itemprop="url" href="/person/177490c81feaefdacd3f9a22e021dcbd6/author/5"><span itemprop="name">B. Grabowski</span></a></span></span>. </span><span class="additional-entrytype-information"><span itemtype="http://schema.org/PublicationIssue" itemscope="itemscope" itemprop="isPartOf"><em><span itemprop="journal">Npj Comput. Mater.</span>, </em> </span>(<em><span>2023<meta content="2023" itemprop="datePublished"/></span></em>)</span>Fri Jul 28 16:50:10 CEST 2023Npj Comput. Mater.129Performance of two complementary machine-learned potentials in modelling chemically complex systems92023EXC2075 chemie kaestner kästner pn6 pn6-a1 stuttgart theochem theoretische
- Tethering chiral Rh diene complexes inside mesoporous solids: experimental and theoretical study of substituent, pore and linker effects on asymmetric catalysishttps://puma.ub.uni-stuttgart.de/bibtex/24f29d38f0400377db03da93417c01372/kgugelerkgugeler2023-06-26T13:01:20+02:00chemie kaestner kästner myown stuttgart theochem theoretische <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Manuel Kirchhof" itemprop="url" href="/person/1bccd14e0ead7442d7dea29a0ee834699/author/0"><span itemprop="name">M. Kirchhof</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Katrin Gugeler" itemprop="url" href="/person/1bccd14e0ead7442d7dea29a0ee834699/author/1"><span itemprop="name">K. Gugeler</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Ann-Katrin Beurer" itemprop="url" href="/person/1bccd14e0ead7442d7dea29a0ee834699/author/2"><span itemprop="name">A. Beurer</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Felix Richard Fischer" itemprop="url" href="/person/1bccd14e0ead7442d7dea29a0ee834699/author/3"><span itemprop="name">F. Fischer</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Derman Batman" itemprop="url" href="/person/1bccd14e0ead7442d7dea29a0ee834699/author/4"><span itemprop="name">D. Batman</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Soeren M. Bauch" itemprop="url" href="/person/1bccd14e0ead7442d7dea29a0ee834699/author/5"><span itemprop="name">S. Bauch</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Sofia Kolin" itemprop="url" href="/person/1bccd14e0ead7442d7dea29a0ee834699/author/6"><span itemprop="name">S. Kolin</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Elliot Nicholas" itemprop="url" href="/person/1bccd14e0ead7442d7dea29a0ee834699/author/7"><span itemprop="name">E. Nicholas</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Roland Schoch" itemprop="url" href="/person/1bccd14e0ead7442d7dea29a0ee834699/author/8"><span itemprop="name">R. Schoch</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Charlotte Vogler" itemprop="url" href="/person/1bccd14e0ead7442d7dea29a0ee834699/author/9"><span itemprop="name">C. Vogler</span></a></span></span> and 10 other author(s). </span><span class="additional-entrytype-information"><span itemtype="http://schema.org/PublicationIssue" itemscope="itemscope" itemprop="isPartOf"><em><span itemprop="journal">Catal. Sci. Technol.</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">13 </span></span>(<span itemprop="issueNumber">12</span>):
<span itemprop="pagination">3709-3724</span></em> </span>(<em><span>2023<meta content="2023" itemprop="datePublished"/></span></em>)</span>Mon Jun 26 13:01:20 CEST 2023Catal. Sci. Technol.123709-3724Tethering chiral {Rh} diene complexes inside mesoporous solids: experimental and theoretical study of substituent{,} pore and linker effects on asymmetric catalysis132023chemie kaestner kästner myown stuttgart theochem theoretische
- Tethering chiral Rh diene complexes inside mesoporous solids: experimental and theoretical study of substituent, pore and linker effects on asymmetric catalysishttps://puma.ub.uni-stuttgart.de/bibtex/24f29d38f0400377db03da93417c01372/theochemtheochem2023-06-26T13:01:20+02:00chemie from:kgugeler myown kaestner kästner theoretische stuttgart theochem <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Manuel Kirchhof" itemprop="url" href="/person/1bccd14e0ead7442d7dea29a0ee834699/author/0"><span itemprop="name">M. Kirchhof</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Katrin Gugeler" itemprop="url" href="/person/1bccd14e0ead7442d7dea29a0ee834699/author/1"><span itemprop="name">K. Gugeler</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Ann-Katrin Beurer" itemprop="url" href="/person/1bccd14e0ead7442d7dea29a0ee834699/author/2"><span itemprop="name">A. Beurer</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Felix Richard Fischer" itemprop="url" href="/person/1bccd14e0ead7442d7dea29a0ee834699/author/3"><span itemprop="name">F. Fischer</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Derman Batman" itemprop="url" href="/person/1bccd14e0ead7442d7dea29a0ee834699/author/4"><span itemprop="name">D. Batman</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Soeren M. Bauch" itemprop="url" href="/person/1bccd14e0ead7442d7dea29a0ee834699/author/5"><span itemprop="name">S. Bauch</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Sofia Kolin" itemprop="url" href="/person/1bccd14e0ead7442d7dea29a0ee834699/author/6"><span itemprop="name">S. Kolin</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Elliot Nicholas" itemprop="url" href="/person/1bccd14e0ead7442d7dea29a0ee834699/author/7"><span itemprop="name">E. Nicholas</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Roland Schoch" itemprop="url" href="/person/1bccd14e0ead7442d7dea29a0ee834699/author/8"><span itemprop="name">R. Schoch</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Charlotte Vogler" itemprop="url" href="/person/1bccd14e0ead7442d7dea29a0ee834699/author/9"><span itemprop="name">C. Vogler</span></a></span></span> and 10 other author(s). </span><span class="additional-entrytype-information"><span itemtype="http://schema.org/PublicationIssue" itemscope="itemscope" itemprop="isPartOf"><em><span itemprop="journal">Catal. Sci. Technol.</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">13 </span></span>(<span itemprop="issueNumber">12</span>):
<span itemprop="pagination">3709-3724</span></em> </span>(<em><span>2023<meta content="2023" itemprop="datePublished"/></span></em>)</span>Mon Jun 26 13:01:20 CEST 2023Catal. Sci. Technol.123709-3724Tethering chiral {Rh} diene complexes inside mesoporous solids: experimental and theoretical study of substituent{,} pore and linker effects on asymmetric catalysis132023chemie from:kgugeler myown kaestner kästner theoretische stuttgart theochem
- A Framework and Benchmark for Deep Batch Active Learning for Regressionhttps://puma.ub.uni-stuttgart.de/bibtex/2239510098761861b58eb5c4e51101b2b/kgugelerkgugeler2023-06-13T06:02:18+02:00chemie kaestner kästner stuttgart theochem theoretische <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="David Holzmüller" itemprop="url" href="/person/1fe3d749b1a79181c335ad49428fe3b2d/author/0"><span itemprop="name">D. Holzmüller</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Viktor Zaverkin" itemprop="url" href="/person/1fe3d749b1a79181c335ad49428fe3b2d/author/1"><span itemprop="name">V. Zaverkin</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Johannes Kästner" itemprop="url" href="/person/1fe3d749b1a79181c335ad49428fe3b2d/author/2"><span itemprop="name">J. Kästner</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Ingo Steinwart" itemprop="url" href="/person/1fe3d749b1a79181c335ad49428fe3b2d/author/3"><span itemprop="name">I. Steinwart</span></a></span></span>. </span><span class="additional-entrytype-information"><span itemtype="http://schema.org/PublicationIssue" itemscope="itemscope" itemprop="isPartOf"><em><span itemprop="journal">J. Mach. Learn. Res.</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">24 </span></span>(<span itemprop="issueNumber">164</span>):
<span itemprop="pagination">1–81</span></em> </span>(<em><span>2023<meta content="2023" itemprop="datePublished"/></span></em>)</span>Tue Jun 13 06:02:18 CEST 2023J. Mach. Learn. Res.1641–81A Framework and Benchmark for Deep Batch Active Learning for Regression242023chemie kaestner kästner stuttgart theochem theoretische
- A Framework and Benchmark for Deep Batch Active Learning for Regressionhttps://puma.ub.uni-stuttgart.de/bibtex/2239510098761861b58eb5c4e51101b2b/theochemtheochem2023-06-13T06:02:18+02:00chemie from:kgugeler kaestner kästner theoretische stuttgart theochem <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="David Holzmüller" itemprop="url" href="/person/1fe3d749b1a79181c335ad49428fe3b2d/author/0"><span itemprop="name">D. Holzmüller</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Viktor Zaverkin" itemprop="url" href="/person/1fe3d749b1a79181c335ad49428fe3b2d/author/1"><span itemprop="name">V. Zaverkin</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Johannes Kästner" itemprop="url" href="/person/1fe3d749b1a79181c335ad49428fe3b2d/author/2"><span itemprop="name">J. Kästner</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Ingo Steinwart" itemprop="url" href="/person/1fe3d749b1a79181c335ad49428fe3b2d/author/3"><span itemprop="name">I. Steinwart</span></a></span></span>. </span><span class="additional-entrytype-information"><span itemtype="http://schema.org/PublicationIssue" itemscope="itemscope" itemprop="isPartOf"><em><span itemprop="journal">J. Mach. Learn. Res.</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">24 </span></span>(<span itemprop="issueNumber">164</span>):
<span itemprop="pagination">1–81</span></em> </span>(<em><span>2023<meta content="2023" itemprop="datePublished"/></span></em>)</span>Tue Jun 13 06:02:18 CEST 2023J. Mach. Learn. Res.1641–81A Framework and Benchmark for Deep Batch Active Learning for Regression242023chemie from:kgugeler kaestner kästner theoretische stuttgart theochem
- Reaction dynamics on amorphous solid water surfaces using interatomic machine-learned potentials - Microscopic energy partition revealed from the P + H → PH reactionhttps://puma.ub.uni-stuttgart.de/bibtex/288f810893024ac9db605de8158ec9d5d/theochemtheochem2023-05-30T07:30:23+02:00EXC2075 chemie from:kgugeler kaestner kästner pn3 stuttgart theochem theoretische <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title=" Molpeceres, G." itemprop="url" href="/person/123df144411b0754339629f2d9051d0e8/author/0"><span itemprop="name">Molpeceres, G.</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title=" Zaverkin, V." itemprop="url" href="/person/123df144411b0754339629f2d9051d0e8/author/1"><span itemprop="name">Zaverkin, V.</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title=" Furuya, K." itemprop="url" href="/person/123df144411b0754339629f2d9051d0e8/author/2"><span itemprop="name">Furuya, K.</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title=" Aikawa, Y." itemprop="url" href="/person/123df144411b0754339629f2d9051d0e8/author/3"><span itemprop="name">Aikawa, Y.</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title=" Kästner, J." itemprop="url" href="/person/123df144411b0754339629f2d9051d0e8/author/4"><span itemprop="name">Kästner, J.</span></a></span></span>. </span><span class="additional-entrytype-information"><span itemtype="http://schema.org/PublicationIssue" itemscope="itemscope" itemprop="isPartOf"><em><span itemprop="journal">Astron. Astrophys.</span>, </em> </span>(<em><span>2023<meta content="2023" itemprop="datePublished"/></span></em>)</span>Tue May 30 07:30:23 CEST 2023Astron. Astrophys.A51Reaction dynamics on amorphous solid water surfaces using interatomic machine-learned potentials - Microscopic energy partition revealed from the {P} + {H} → {PH} reaction6732023EXC2075 chemie from:kgugeler kaestner kästner pn3 stuttgart theochem theoretische
- Reaction dynamics on amorphous solid water surfaces using interatomic machine-learned potentials - Microscopic energy partition revealed from the P + H → PH reactionhttps://puma.ub.uni-stuttgart.de/bibtex/288f810893024ac9db605de8158ec9d5d/kgugelerkgugeler2023-05-30T07:22:54+02:00EXC2075 chemie kaestner kästner pn3 stuttgart theochem theoretische <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title=" Molpeceres, G." itemprop="url" href="/person/123df144411b0754339629f2d9051d0e8/author/0"><span itemprop="name">Molpeceres, G.</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title=" Zaverkin, V." itemprop="url" href="/person/123df144411b0754339629f2d9051d0e8/author/1"><span itemprop="name">Zaverkin, V.</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title=" Furuya, K." itemprop="url" href="/person/123df144411b0754339629f2d9051d0e8/author/2"><span itemprop="name">Furuya, K.</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title=" Aikawa, Y." itemprop="url" href="/person/123df144411b0754339629f2d9051d0e8/author/3"><span itemprop="name">Aikawa, Y.</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title=" Kästner, J." itemprop="url" href="/person/123df144411b0754339629f2d9051d0e8/author/4"><span itemprop="name">Kästner, J.</span></a></span></span>. </span><span class="additional-entrytype-information"><span itemtype="http://schema.org/PublicationIssue" itemscope="itemscope" itemprop="isPartOf"><em><span itemprop="journal">Astron. Astrophys.</span>, </em> </span>(<em><span>2023<meta content="2023" itemprop="datePublished"/></span></em>)</span>Tue May 30 07:22:54 CEST 2023Astron. Astrophys.A51Reaction dynamics on amorphous solid water surfaces using interatomic machine-learned potentials - Microscopic energy partition revealed from the {P} + {H} → {PH} reaction6732023EXC2075 chemie kaestner kästner pn3 stuttgart theochem theoretische
- How Solid Surfaces Control Stability and Interactions of Supported Cationic Cu^I(dppf) Complexes—A Solid-State NMR Studyhttps://puma.ub.uni-stuttgart.de/bibtex/21cae550a63eeef998d1cf61aa0f8faf5/theochemtheochem2023-05-17T11:54:49+02:00chemie from:kgugeler kaestner kästner stuttgart theochem theoretische <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Marc Schnierle" itemprop="url" href="/person/1271e2d06e848cdbeb63bfc573095344c/author/0"><span itemprop="name">M. Schnierle</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Sina Klostermann" itemprop="url" href="/person/1271e2d06e848cdbeb63bfc573095344c/author/1"><span itemprop="name">S. Klostermann</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Elif Kaya" itemprop="url" href="/person/1271e2d06e848cdbeb63bfc573095344c/author/2"><span itemprop="name">E. Kaya</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Zheng Li" itemprop="url" href="/person/1271e2d06e848cdbeb63bfc573095344c/author/3"><span itemprop="name">Z. Li</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Daniel Dittmann" itemprop="url" href="/person/1271e2d06e848cdbeb63bfc573095344c/author/4"><span itemprop="name">D. Dittmann</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Carolin Rieg" itemprop="url" href="/person/1271e2d06e848cdbeb63bfc573095344c/author/5"><span itemprop="name">C. Rieg</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Deven P. Estes" itemprop="url" href="/person/1271e2d06e848cdbeb63bfc573095344c/author/6"><span itemprop="name">D. Estes</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Johannes Kästner" itemprop="url" href="/person/1271e2d06e848cdbeb63bfc573095344c/author/7"><span itemprop="name">J. Kästner</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Mark R. Ringenberg" itemprop="url" href="/person/1271e2d06e848cdbeb63bfc573095344c/author/8"><span itemprop="name">M. Ringenberg</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Michael Dyballa" itemprop="url" href="/person/1271e2d06e848cdbeb63bfc573095344c/author/9"><span itemprop="name">M. Dyballa</span></a></span></span>. </span><span class="additional-entrytype-information"><span itemtype="http://schema.org/PublicationIssue" itemscope="itemscope" itemprop="isPartOf"><em><span itemprop="journal">Inorg. Chem.</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">62 </span></span>(<span itemprop="issueNumber">19</span>):
<span itemprop="pagination">7283-7295</span></em> </span>(<em><span>2023<meta content="2023" itemprop="datePublished"/></span></em>)</span>Wed May 17 11:54:49 CEST 2023Inorg. Chem.197283-7295How Solid Surfaces Control Stability and Interactions of Supported Cationic Cu^I(dppf) Complexes—A Solid-State {NMR} Study622023chemie from:kgugeler kaestner kästner stuttgart theochem theoretische
- A Non Expected Alternative Ni(0) Species in the Ni-Catalytic Aldehyde and Alcohol Arylation Reactions Facilitated by a 1,5-Diaza-3,7-diphosphacyclooctane Ligandhttps://puma.ub.uni-stuttgart.de/bibtex/24e166f11b1baeb91c9e8a03081f7435a/theochemtheochem2023-05-17T10:54:32+02:00chemie from:kgugeler kaestner kästner stuttgart theochem theoretische <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Juliane Heitkämper" itemprop="url" href="/person/14a5ded1eb44ae0a140f5c963ea122758/author/0"><span itemprop="name">J. Heitkämper</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Sergio Posada-Pérez" itemprop="url" href="/person/14a5ded1eb44ae0a140f5c963ea122758/author/1"><span itemprop="name">S. Posada-Pérez</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Silvia Escayola" itemprop="url" href="/person/14a5ded1eb44ae0a140f5c963ea122758/author/2"><span itemprop="name">S. Escayola</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Miquel Solà" itemprop="url" href="/person/14a5ded1eb44ae0a140f5c963ea122758/author/3"><span itemprop="name">M. Solà</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Johannes Kästner" itemprop="url" href="/person/14a5ded1eb44ae0a140f5c963ea122758/author/4"><span itemprop="name">J. Kästner</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Albert Poater" itemprop="url" href="/person/14a5ded1eb44ae0a140f5c963ea122758/author/5"><span itemprop="name">A. Poater</span></a></span></span>. </span><span class="additional-entrytype-information"><span itemtype="http://schema.org/PublicationIssue" itemscope="itemscope" itemprop="isPartOf"><em><span itemprop="journal">Chem. Eur. J.</span>, </em> </span>(<em><span>2023<meta content="2023" itemprop="datePublished"/></span></em>)</span>Wed May 17 10:54:32 CEST 2023Chem. Eur. J.e202300193A Non Expected Alternative {Ni}(0) Species in the {Ni}-Catalytic Aldehyde and Alcohol Arylation Reactions Facilitated by a 1,5-Diaza-3,7-diphosphacyclooctane Ligand292023chemie from:kgugeler kaestner kästner stuttgart theochem theoretische
- Oxo-Bridged Zr Dimers as Well-defined Models of Oxygen Vacancies on ZrO₂https://puma.ub.uni-stuttgart.de/bibtex/2708ab300c49b78912b20bf55054919f2/theochemtheochem2023-04-26T08:09:18+02:00chemie from:kgugeler kaestner kästner theoretische stuttgart theochem <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Erik J. Wimmer" itemprop="url" href="/person/16a11a3631065a532d5d67a7c2f6beafc/author/0"><span itemprop="name">E. Wimmer</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Sina V. Klostermann" itemprop="url" href="/person/16a11a3631065a532d5d67a7c2f6beafc/author/1"><span itemprop="name">S. Klostermann</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Mark Ringenberg" itemprop="url" href="/person/16a11a3631065a532d5d67a7c2f6beafc/author/2"><span itemprop="name">M. Ringenberg</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Johannes Kästner" itemprop="url" href="/person/16a11a3631065a532d5d67a7c2f6beafc/author/3"><span itemprop="name">J. Kästner</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Deven P. Estes" itemprop="url" href="/person/16a11a3631065a532d5d67a7c2f6beafc/author/4"><span itemprop="name">D. Estes</span></a></span></span>. </span><span class="additional-entrytype-information"><span itemtype="http://schema.org/PublicationIssue" itemscope="itemscope" itemprop="isPartOf"><em><span itemprop="journal">Eur. J. Inorg. Chem.</span>, </em> </span>(<em><span>2023<meta content="2023" itemprop="datePublished"/></span></em>)</span>Wed Apr 26 08:09:18 CEST 2023Eur. J. Inorg. Chem.e202200709Oxo-Bridged {Zr} Dimers as Well-defined Models of Oxygen Vacancies on {ZrO₂}262023chemie from:kgugeler kaestner kästner theoretische stuttgart theochem
- Processing of hydroxylamine, NH₂OH, an important prebiotic precursor, on interstellar iceshttps://puma.ub.uni-stuttgart.de/bibtex/2e0c4ca6c9523471fe4b42ed7fa55337b/theochemtheochem2023-04-19T07:10:38+02:00chemie from:kgugeler kaestner kästner theoretische stuttgart theochem <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="G. Molpeceres" itemprop="url" href="/person/1d7d8369796bab6bf1df0092b74f3f640/author/0"><span itemprop="name">G. Molpeceres</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="V. M. Rivilla" itemprop="url" href="/person/1d7d8369796bab6bf1df0092b74f3f640/author/1"><span itemprop="name">V. Rivilla</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="K. Furuya" itemprop="url" href="/person/1d7d8369796bab6bf1df0092b74f3f640/author/2"><span itemprop="name">K. Furuya</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Johannes Kästner" itemprop="url" href="/person/1d7d8369796bab6bf1df0092b74f3f640/author/3"><span itemprop="name">J. Kästner</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Belén Maté" itemprop="url" href="/person/1d7d8369796bab6bf1df0092b74f3f640/author/4"><span itemprop="name">B. Maté</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Yuri Aikawa" itemprop="url" href="/person/1d7d8369796bab6bf1df0092b74f3f640/author/5"><span itemprop="name">Y. Aikawa</span></a></span></span>. </span><span class="additional-entrytype-information"><span itemtype="http://schema.org/PublicationIssue" itemscope="itemscope" itemprop="isPartOf"><em><span itemprop="journal">Mon. Not. R. Astron. Soc.</span>, </em> </span>(<em><span>2023<meta content="2023" itemprop="datePublished"/></span></em>)</span>Wed Apr 19 07:10:38 CEST 2023Mon. Not. R. Astron. Soc.6061-6074{Processing of hydroxylamine, NH₂OH, an important prebiotic precursor, on interstellar ices}5212023chemie from:kgugeler kaestner kästner theoretische stuttgart theochem