PUMA publications for /tag/imported%20theoretische%20theochemhttps://puma.ub.uni-stuttgart.de/tag/imported%20theoretische%20theochemPUMA RSS feed for /tag/imported%20theoretische%20theochem2024-03-29T13:11:18+01:00- Alcohols on the Rocks: Solid-State Formation in a H₃CC≣CH + OH Cocktail under Dark Cloud Conditionshttps://puma.ub.uni-stuttgart.de/bibtex/27aed03dc2461b1422614f06eae72eae5/theochemtheochem2019-06-24T10:04:06+02:00chemie imported kaestner from:alexanderdenzel kästner theoretische stuttgart theochem <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Danna Qasim" itemprop="url" href="/person/1793bb934b7580d2ba58ce7e865bd4159/author/0"><span itemprop="name">D. Qasim</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Gleb Fedoseev" itemprop="url" href="/person/1793bb934b7580d2ba58ce7e865bd4159/author/1"><span itemprop="name">G. Fedoseev</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Thanja Lamberts" itemprop="url" href="/person/1793bb934b7580d2ba58ce7e865bd4159/author/2"><span itemprop="name">T. Lamberts</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Ko-Ju Chuang" itemprop="url" href="/person/1793bb934b7580d2ba58ce7e865bd4159/author/3"><span itemprop="name">K. Chuang</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Jiao He" itemprop="url" href="/person/1793bb934b7580d2ba58ce7e865bd4159/author/4"><span itemprop="name">J. He</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Sergio Ioppolo" itemprop="url" href="/person/1793bb934b7580d2ba58ce7e865bd4159/author/5"><span itemprop="name">S. Ioppolo</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Johannes Kästner" itemprop="url" href="/person/1793bb934b7580d2ba58ce7e865bd4159/author/6"><span itemprop="name">J. Kästner</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Harold Linnartz" itemprop="url" href="/person/1793bb934b7580d2ba58ce7e865bd4159/author/7"><span itemprop="name">H. Linnartz</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 Space Chem.</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">3 </span></span>(<span itemprop="issueNumber">6</span>):
<span itemprop="pagination">986-999</span></em> </span>(<em><span>2019<meta content="2019" itemprop="datePublished"/></span></em>)</span>
- The Case of H₂C₃O Isomers, Revisited: Solving the Mystery of the Missing Propadienonehttps://puma.ub.uni-stuttgart.de/bibtex/2f7bb1e7279485a8845fe6c1bddb4f168/theochemtheochem2019-06-24T10:04:06+02:00chemie imported kaestner from:alexanderdenzel kästner theoretische stuttgart theochem <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Christopher N. Shingledecker" itemprop="url" href="/person/1b8fab34aef0931201c7c1a68a820e1d5/author/0"><span itemprop="name">C. Shingledecker</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Sonia Álvarez-Barcia" itemprop="url" href="/person/1b8fab34aef0931201c7c1a68a820e1d5/author/1"><span itemprop="name">S. Álvarez-Barcia</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Viktoria H. Korn" itemprop="url" href="/person/1b8fab34aef0931201c7c1a68a820e1d5/author/2"><span itemprop="name">V. Korn</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Johannes Kästner" itemprop="url" href="/person/1b8fab34aef0931201c7c1a68a820e1d5/author/3"><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">Astrophys. J.</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">878 </span></span>(<span itemprop="issueNumber">2</span>):
<span itemprop="pagination">80</span></em> </span>(<em><span>2019<meta content="2019" itemprop="datePublished"/></span></em>)</span>
- Formation of Acetaldehyde on CO-Rich Iceshttps://puma.ub.uni-stuttgart.de/bibtex/2675786ee5290725f7ab81776b2d3126b/theochemtheochem2019-06-24T10:04:06+02:00chemie imported kaestner from:alexanderdenzel kästner theoretische stuttgart theochem <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Thanja Lamberts" itemprop="url" href="/person/1b084483fbd008246a6c6d834ae211497/author/0"><span itemprop="name">T. Lamberts</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Max N. Markmeyer" itemprop="url" href="/person/1b084483fbd008246a6c6d834ae211497/author/1"><span itemprop="name">M. Markmeyer</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Florian J. Kolb" itemprop="url" href="/person/1b084483fbd008246a6c6d834ae211497/author/2"><span itemprop="name">F. Kolb</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Johannes Kästner" itemprop="url" href="/person/1b084483fbd008246a6c6d834ae211497/author/3"><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">ACS Earth Space Chem.</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">3 </span></span>(<span itemprop="issueNumber">6</span>):
<span itemprop="pagination">958-963</span></em> </span>(<em><span>2019<meta content="2019" itemprop="datePublished"/></span></em>)</span>
- Unfolding of DNA by co-solutes: insights from Kirkwood--Buff integrals and transfer free energieshttps://puma.ub.uni-stuttgart.de/bibtex/22ab7d4aaaf6c391356fcf267ce9ce23c/theochemtheochem2019-03-11T09:54:54+01:00chemie from:alexanderdenzel imported 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="Ewa Anna Oprzeska-Zingrebe" itemprop="url" href="/person/1b2cc8e4b7a5e69969528f2702ce23592/author/0"><span itemprop="name">E. Oprzeska-Zingrebe</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Miriam Kohagen" itemprop="url" href="/person/1b2cc8e4b7a5e69969528f2702ce23592/author/1"><span itemprop="name">M. Kohagen</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Johannes Kästner" itemprop="url" href="/person/1b2cc8e4b7a5e69969528f2702ce23592/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="Jens Smiatek" itemprop="url" href="/person/1b2cc8e4b7a5e69969528f2702ce23592/author/3"><span itemprop="name">J. Smiatek</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. Phys. J. - S. T.</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">227 </span></span>(<span itemprop="issueNumber">14</span>):
<span itemprop="pagination">1665--1679</span></em> </span>(<em><span>2019<meta content="2019" itemprop="datePublished"/></span></em>)</span>
- Particle methods in natural science and engineeringhttps://puma.ub.uni-stuttgart.de/bibtex/28952ff5b4416b67682d1daccdba38208/theochemtheochem2019-03-11T09:54:54+01:00chemie from:alexanderdenzel imported 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="Christian Holm" itemprop="url" href="/person/1105065f148e57c66154c5812e4591c0a/author/0"><span itemprop="name">C. Holm</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Thomas Ertl" itemprop="url" href="/person/1105065f148e57c66154c5812e4591c0a/author/1"><span itemprop="name">T. Ertl</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Siegfried Schmauder" itemprop="url" href="/person/1105065f148e57c66154c5812e4591c0a/author/2"><span itemprop="name">S. Schmauder</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Johannes Kästner" itemprop="url" href="/person/1105065f148e57c66154c5812e4591c0a/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="Joachim Gross" itemprop="url" href="/person/1105065f148e57c66154c5812e4591c0a/author/4"><span itemprop="name">J. Gross</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. Phys. J. - S. T.</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">227 </span></span>(<span itemprop="issueNumber">14</span>):
<span itemprop="pagination">1493--1499</span></em> </span>(<em><span>2019<meta content="2019" itemprop="datePublished"/></span></em>)</span>
- Quantum mechanical angular distributions for the F+H₂reactionhttps://puma.ub.uni-stuttgart.de/bibtex/2c2904ccb0d2b30bb78a947efcb63b584/theochemtheochem2019-03-01T15:49:44+01:00chemie imported werner from:alexanderdenzel theoretische stuttgart theochem <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Jesus F. Castillo" itemprop="url" href="/person/10e340c2980da59f78b740ce16e49935f/author/0"><span itemprop="name">J. Castillo</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="David E. Manolopoulos" itemprop="url" href="/person/10e340c2980da59f78b740ce16e49935f/author/1"><span itemprop="name">D. Manolopoulos</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Klaus Stark" itemprop="url" href="/person/10e340c2980da59f78b740ce16e49935f/author/2"><span itemprop="name">K. Stark</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Hans Joachim Werner" itemprop="url" href="/person/10e340c2980da59f78b740ce16e49935f/author/3"><span itemprop="name">H. Werner</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. Chem. Phys.</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">104 </span></span>(<span itemprop="issueNumber">17</span>):
<span itemprop="pagination">6531–6546</span></em> </span>(<em><span>May 1996<meta content="May 1996" itemprop="datePublished"/></span></em>)</span>
- Quantum scattering studies of electronically inelastic collisions of CN ( X 2 Σ + , A 2 Π) with Hehttps://puma.ub.uni-stuttgart.de/bibtex/256d63eb6e97f4a8b5aabe0a94f9cf0f9/theochemtheochem2019-03-01T15:49:44+01:00chemie imported werner from:alexanderdenzel theoretische stuttgart theochem <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Hans‐Joachim Werner" itemprop="url" href="/person/1c52f5ffa09f0c5b76bf378c8261a56e2/author/0"><span itemprop="name">H. Werner</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Bernd Follmeg" itemprop="url" href="/person/1c52f5ffa09f0c5b76bf378c8261a56e2/author/1"><span itemprop="name">B. Follmeg</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Millard H. Alexander" itemprop="url" href="/person/1c52f5ffa09f0c5b76bf378c8261a56e2/author/2"><span itemprop="name">M. Alexander</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Didier Lemoine" itemprop="url" href="/person/1c52f5ffa09f0c5b76bf378c8261a56e2/author/3"><span itemprop="name">D. Lemoine</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. Chem. Phys.</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">91 </span></span>(<span itemprop="issueNumber">9</span>):
<span itemprop="pagination">5425–5439</span></em> </span>(<em><span>1989<meta content="1989" itemprop="datePublished"/></span></em>)</span>
- The F + HD reaction: Cross sections and rate constants on an ab initio potential energy surfacehttps://puma.ub.uni-stuttgart.de/bibtex/2d9a9d61e070042486a2e0b18f0440b03/theochemtheochem2019-03-01T15:49:44+01:00chemie imported werner from:alexanderdenzel theoretische stuttgart theochem <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="F. J. Aoiz" itemprop="url" href="/person/16b951e43de331696f55596ae2e640981/author/0"><span itemprop="name">F. Aoiz</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="L. Bañares" itemprop="url" href="/person/16b951e43de331696f55596ae2e640981/author/1"><span itemprop="name">L. Bañares</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="V. J. Herrero" itemprop="url" href="/person/16b951e43de331696f55596ae2e640981/author/2"><span itemprop="name">V. Herrero</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="V. Sáez Rábanos" itemprop="url" href="/person/16b951e43de331696f55596ae2e640981/author/3"><span itemprop="name">V. Sáez Rábanos</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="K. Stark" itemprop="url" href="/person/16b951e43de331696f55596ae2e640981/author/4"><span itemprop="name">K. Stark</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="I. Tanarro" itemprop="url" href="/person/16b951e43de331696f55596ae2e640981/author/5"><span itemprop="name">I. Tanarro</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="H. J. Werner" itemprop="url" href="/person/16b951e43de331696f55596ae2e640981/author/6"><span itemprop="name">H. Werner</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. Phys. Lett.</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">262 </span></span>(<span itemprop="issueNumber">3-4</span>):
<span itemprop="pagination">175–182</span></em> </span>(<em><span>1996<meta content="1996" itemprop="datePublished"/></span></em>)</span>
- An accurate ab initio calculation of the dipole moment function of GeHhttps://puma.ub.uni-stuttgart.de/bibtex/29514dfc54cf59ca6bde2a8b0c8a08798/theochemtheochem2019-03-01T15:49:44+01:00chemie imported werner from:alexanderdenzel theoretische stuttgart theochem <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Hans Joachim Werner" itemprop="url" href="/person/1a90765853029184beef15af3be49a223/author/0"><span itemprop="name">H. Werner</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="A. D. Buckingham" itemprop="url" href="/person/1a90765853029184beef15af3be49a223/author/1"><span itemprop="name">A. Buckingham</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. Phys. Lett.</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">125 </span></span>(<span itemprop="issueNumber">5-6</span>):
<span itemprop="pagination">433–437</span></em> </span>(<em><span>1986<meta content="1986" itemprop="datePublished"/></span></em>)</span>
- Finite perturbation calculations for the static dipole polarizabilities of the first-row atomshttps://puma.ub.uni-stuttgart.de/bibtex/2d8d5d774419ef63be90f1cb83ef428ca/theochemtheochem2019-03-01T15:49:44+01:00chemie imported werner from:alexanderdenzel theoretische stuttgart theochem <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Hans Joachim Werner" itemprop="url" href="/person/1b935d35a889eabe7677021078d9744a5/author/0"><span itemprop="name">H. Werner</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Wilfried Meyer" itemprop="url" href="/person/1b935d35a889eabe7677021078d9744a5/author/1"><span itemprop="name">W. Meyer</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. Rev. A</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">13 </span></span>(<span itemprop="issueNumber">1</span>):
<span itemprop="pagination">13–16</span></em> </span>(<em><span>January 1976<meta content="January 1976" itemprop="datePublished"/></span></em>)</span>
- The radiative lifetime of A 1 Π u C 2https://puma.ub.uni-stuttgart.de/bibtex/2073c9b2d1547f4b1ffaa8e72f02788a3/theochemtheochem2019-03-01T15:49:44+01:00chemie imported werner from:alexanderdenzel theoretische stuttgart theochem <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="S. V. ONeil" itemprop="url" href="/person/18f6cf27afc8ea2f4ed05319e313169cc/author/0"><span itemprop="name">S. ONeil</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="P. Rosmus" itemprop="url" href="/person/18f6cf27afc8ea2f4ed05319e313169cc/author/1"><span itemprop="name">P. Rosmus</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="H.‐J. Werner" itemprop="url" href="/person/18f6cf27afc8ea2f4ed05319e313169cc/author/2"><span itemprop="name">H. Werner</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. Chem. Phys.</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">87 </span></span>(<span itemprop="issueNumber">5</span>):
<span itemprop="pagination">2847–2853</span></em> </span>(<em><span>1987<meta content="1987" itemprop="datePublished"/></span></em>)</span>
- Temperature dependence of the geminate recombination of radical ion pairshttps://puma.ub.uni-stuttgart.de/bibtex/27420e98bc163710951477a238d758371/theochemtheochem2019-03-01T15:49:44+01:00chemie imported werner from:alexanderdenzel theoretische stuttgart theochem <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Heinrich Schomburg" itemprop="url" href="/person/1b94890c1a9f616041395d83ccb739864/author/0"><span itemprop="name">H. Schomburg</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Hubert Staerk" itemprop="url" href="/person/1b94890c1a9f616041395d83ccb739864/author/1"><span itemprop="name">H. Staerk</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Albert Weller" itemprop="url" href="/person/1b94890c1a9f616041395d83ccb739864/author/2"><span itemprop="name">A. Weller</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Hans Joachim Werner" itemprop="url" href="/person/1b94890c1a9f616041395d83ccb739864/author/3"><span itemprop="name">H. Werner</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. Phys. Lett.</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">56 </span></span>(<span itemprop="issueNumber">3</span>):
<span itemprop="pagination">399–403</span></em> </span>(<em><span>June 1978<meta content="June 1978" itemprop="datePublished"/></span></em>)</span>
- The unimolecular dissociation of HCO. II. Comparison of calculated resonance energies and widths with high-resolution spectroscopic datahttps://puma.ub.uni-stuttgart.de/bibtex/21e6d6fec15a9bcb127516e6cb0b9582d/theochemtheochem2019-03-01T15:49:44+01:00chemie imported werner from:alexanderdenzel theoretische stuttgart theochem <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Hans Martin Keller" itemprop="url" href="/person/1476c884bc26c29f0b735f5d0609c1913/author/0"><span itemprop="name">H. Keller</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Heiner Floethmann" itemprop="url" href="/person/1476c884bc26c29f0b735f5d0609c1913/author/1"><span itemprop="name">H. Floethmann</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Abigail J. Dobbyn" itemprop="url" href="/person/1476c884bc26c29f0b735f5d0609c1913/author/2"><span itemprop="name">A. Dobbyn</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Reinhard Schinke" itemprop="url" href="/person/1476c884bc26c29f0b735f5d0609c1913/author/3"><span itemprop="name">R. Schinke</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Hans Joachim Werner" itemprop="url" href="/person/1476c884bc26c29f0b735f5d0609c1913/author/4"><span itemprop="name">H. Werner</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Cornelia Bauer" itemprop="url" href="/person/1476c884bc26c29f0b735f5d0609c1913/author/5"><span itemprop="name">C. Bauer</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Pavel Rosmus" itemprop="url" href="/person/1476c884bc26c29f0b735f5d0609c1913/author/6"><span itemprop="name">P. Rosmus</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. Chem. Phys.</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">105 </span></span>(<span itemprop="issueNumber">12</span>):
<span itemprop="pagination">4983–5004</span></em> </span>(<em><span>1996<meta content="1996" itemprop="datePublished"/></span></em>)</span>
- Ab Initio Simulation of Molecular Beam Experiments for the F + H₂ → HF + H Reactionhttps://puma.ub.uni-stuttgart.de/bibtex/2c9d0c3172f697fedc14ae3417e293ae9/theochemtheochem2019-03-01T15:49:44+01:00chemie imported werner from:alexanderdenzel theoretische stuttgart theochem <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="K. Stark" itemprop="url" href="/person/19b9e7f35eebb76425d3802c965b1e8c6/author/0"><span itemprop="name">K. Stark</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="J. F. Castillo" itemprop="url" href="/person/19b9e7f35eebb76425d3802c965b1e8c6/author/1"><span itemprop="name">J. Castillo</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="B. Martínez-Haya" itemprop="url" href="/person/19b9e7f35eebb76425d3802c965b1e8c6/author/2"><span itemprop="name">B. Martínez-Haya</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="L. Bañares" itemprop="url" href="/person/19b9e7f35eebb76425d3802c965b1e8c6/author/3"><span itemprop="name">L. Bañares</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="H.-J. Werner" itemprop="url" href="/person/19b9e7f35eebb76425d3802c965b1e8c6/author/4"><span itemprop="name">H. Werner</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="F. J. Aoiz" itemprop="url" href="/person/19b9e7f35eebb76425d3802c965b1e8c6/author/5"><span itemprop="name">F. Aoiz</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="D. E. Manolopoulos" itemprop="url" href="/person/19b9e7f35eebb76425d3802c965b1e8c6/author/6"><span itemprop="name">D. Manolopoulos</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. Phys. Chem. A</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">101 </span></span>(<span itemprop="issueNumber">36</span>):
<span itemprop="pagination">6403–6414</span></em> </span>(<em><span>2002<meta content="2002" itemprop="datePublished"/></span></em>)</span>
- Quantum scattering study of rotational energy transfer in OH( A 2 Σ + , v '=0) in collisions with He( 1 S )https://puma.ub.uni-stuttgart.de/bibtex/2a9f480100523e70e0df6b69cec717ac3/theochemtheochem2019-03-01T15:49:44+01:00chemie imported werner from:alexanderdenzel theoretische stuttgart theochem <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Andreas Jörg" itemprop="url" href="/person/165e2e325ade54596dccf6efefa050c3b/author/0"><span itemprop="name">A. Jörg</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Alessandra Degli Esposti" itemprop="url" href="/person/165e2e325ade54596dccf6efefa050c3b/author/1"><span itemprop="name">A. Esposti</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Hans‐Joachim Werner" itemprop="url" href="/person/165e2e325ade54596dccf6efefa050c3b/author/2"><span itemprop="name">H. Werner</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. Chem. Phys.</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">93 </span></span>(<span itemprop="issueNumber">12</span>):
<span itemprop="pagination">8757–8763</span></em> </span>(<em><span>1990<meta content="1990" itemprop="datePublished"/></span></em>)</span>
- Rotational and alignment effects in a wave packet calculation for the Cl + H₂ reactionhttps://puma.ub.uni-stuttgart.de/bibtex/27d2939845da975d627357c24e14a92e3/theochemtheochem2019-03-01T15:49:44+01:00chemie imported werner from:alexanderdenzel theoretische stuttgart theochem <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Dimitris Skouteris" itemprop="url" href="/person/1b55fa3e2d6320a9394d7b14856fa384a/author/0"><span itemprop="name">D. Skouteris</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Antonio Laganà" itemprop="url" href="/person/1b55fa3e2d6320a9394d7b14856fa384a/author/1"><span itemprop="name">A. Laganà</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Gabriella Capecchi" itemprop="url" href="/person/1b55fa3e2d6320a9394d7b14856fa384a/author/2"><span itemprop="name">G. Capecchi</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Hans-Joachim Werner" itemprop="url" href="/person/1b55fa3e2d6320a9394d7b14856fa384a/author/3"><span itemprop="name">H. Werner</span></a></span></span>. </span><span class="additional-entrytype-information"><span itemtype="http://schema.org/PublicationIssue" itemscope="itemscope" itemprop="isPartOf"><em><span itemprop="journal">Int. J. Quantum Chem.</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">99 </span></span>(<span itemprop="issueNumber">5</span>):
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- A second order multiconfiguration SCF procedure with optimum convergencehttps://puma.ub.uni-stuttgart.de/bibtex/2885544f2bbff4211cbe2d55a07dcc455/theochemtheochem2019-03-01T15:49:44+01:00chemie imported werner from:alexanderdenzel theoretische stuttgart theochem <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Hans Joachim Werner" itemprop="url" href="/person/1379b78a581d071628ee7bdca2ac4677e/author/0"><span itemprop="name">H. Werner</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Peter J. Knowles" itemprop="url" href="/person/1379b78a581d071628ee7bdca2ac4677e/author/1"><span itemprop="name">P. Knowles</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. Chem. Phys.</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">82 </span></span>(<span itemprop="issueNumber">11</span>):
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- Calculation of intermolecular interactions in the benzene dimer using coupled-cluster and local electron correlation methodshttps://puma.ub.uni-stuttgart.de/bibtex/2698df9570dd279ce48445012321b7228/theochemtheochem2019-03-01T15:49:43+01:00chemie imported werner from:alexanderdenzel theoretische stuttgart theochem <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="J. Grant Hill" itemprop="url" href="/person/16d70ea033a8fd89ed0150f28ab49ef9e/author/0"><span itemprop="name">J. Hill</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="James A. Platts" itemprop="url" href="/person/16d70ea033a8fd89ed0150f28ab49ef9e/author/1"><span itemprop="name">J. Platts</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Hans Joachim Werner" itemprop="url" href="/person/16d70ea033a8fd89ed0150f28ab49ef9e/author/2"><span itemprop="name">H. Werner</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> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">8 </span></span>(<span itemprop="issueNumber">35</span>):
<span itemprop="pagination">4072–4078</span></em> </span>(<em><span>2006<meta content="2006" itemprop="datePublished"/></span></em>)</span>
- Vibrational radiative lifetimes in H₂Se and HCS-https://puma.ub.uni-stuttgart.de/bibtex/2d30e0b022609c4f8cb298496f9839086/theochemtheochem2019-03-01T15:49:43+01:00chemie imported werner from:alexanderdenzel theoretische stuttgart theochem <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="J Senekowitsch" itemprop="url" href="/person/1d43bf7c3e1e9e2bbc62ea5e328ea7285/author/0"><span itemprop="name">J. Senekowitsch</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="S Carter" itemprop="url" href="/person/1d43bf7c3e1e9e2bbc62ea5e328ea7285/author/1"><span itemprop="name">S. Carter</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="H J Werner" itemprop="url" href="/person/1d43bf7c3e1e9e2bbc62ea5e328ea7285/author/2"><span itemprop="name">H. Werner</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="P Rosmus" itemprop="url" href="/person/1d43bf7c3e1e9e2bbc62ea5e328ea7285/author/3"><span itemprop="name">P. Rosmus</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. Phys. Lett.</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">140 </span></span>(<span itemprop="issueNumber">4</span>):
<span itemprop="pagination">375–380</span></em> </span>(<em><span>1987<meta content="1987" itemprop="datePublished"/></span></em>)</span>
- Bound electronic states of HCl₂https://puma.ub.uni-stuttgart.de/bibtex/277f08f556e7f63cace552fcc0e4e5e98/theochemtheochem2019-03-01T15:49:43+01:00chemie imported werner from:alexanderdenzel theoretische stuttgart theochem <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="S V ONeil" itemprop="url" href="/person/170e8e9c95ce4e94692dc9ef1e47227fb/author/0"><span itemprop="name">S. ONeil</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="P Rosmus" itemprop="url" href="/person/170e8e9c95ce4e94692dc9ef1e47227fb/author/1"><span itemprop="name">P. Rosmus</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="D W Norcross" itemprop="url" href="/person/170e8e9c95ce4e94692dc9ef1e47227fb/author/2"><span itemprop="name">D. Norcross</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="H J Werner" itemprop="url" href="/person/170e8e9c95ce4e94692dc9ef1e47227fb/author/3"><span itemprop="name">H. Werner</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. Chem. Phys.</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">85 </span></span>(<span itemprop="issueNumber">12</span>):
<span itemprop="pagination">7232–7240</span></em> </span>(<em><span>1986<meta content="1986" itemprop="datePublished"/></span></em>)</span>