tag :: Chemie

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1Bioanorganische Chemie in der Restaurierung: Zur Reaktivität von Metallkomplexbildnern auf historischen Gemäldeoberflächen
http://https://publikationen.uni-tuebingen.de/xmlui/bitstream/handle/10900/48606/pdf/Dissertation_23-06-04.pdf?sequence=1
4 years ago by @fndetta
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Gemäldeoberflächen
bioanorganische
chemie
restaurierung
Gemäldeoberflächenbioanorganischechemierestaurierung
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1The mchem bundle
LaTeX-Dokumentation Chemiepaket mchem
6 years ago by @droessler
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chemiedokumentationlatexpaketschreibenwissenschaftliches
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1ISO-31-konformer Formelsatz in LaTeX - formelsatz.pdf
ISO-31-konformer Formelsatz in LATEX
6 years ago by @droessler
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chemie
formeln
formelsatz
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chemieformelnformelsatzlatexmathematikschreibenwissenschaftliches
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6Collaboration on Machine-Learned Potentials with IPSuite: A Modular Framework for Learning-on-the-Fly
F. Zills, M. Schäfer, N. Segreto, J. Kästner, C. Holm, and S. Tovey. J. Phys. Chem. B, (2024)
3 days ago by @mstier
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3A-1A-3A-5A-7PNPN6chemiekaestnerkästnerstuttgarttheochemtheoretische
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6Collaboration on Machine-Learned Potentials with IPSuite: A Modular Framework for Learning-on-the-Fly
F. Zills, M. Schäfer, N. Segreto, J. Kästner, C. Holm, and S. Tovey. J. Phys. Chem. B, (2024)
3 days ago by @theochem
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3Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials
V. Zaverkin, D. Holzmüller, H. Christiansen, F. Errica, F. Alesiani, M. Takamoto, M. Niepert, and J. Kästner. npj Comput. Mater., (2024)
4 days ago by @mstier
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3Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials
V. Zaverkin, D. Holzmüller, H. Christiansen, F. Errica, F. Alesiani, M. Takamoto, M. Niepert, and J. Kästner. npj Comput. Mater., (2024)
4 days ago by @theochem
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3The reduction behavior of sulfurized polyacrylonitrile (SPAN) in lithium–sulfur batteries using a carbonate electrolyte: a computational study
S. Klostermann, J. Kappler, A. Waigum, M. Buchmeiser, A. Köhn, and J. Kästner. Phys. Chem. Chem. Phys., (2024)
21 days ago by @mstier
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3The reduction behavior of sulfurized polyacrylonitrile (SPAN) in lithium–sulfur batteries using a carbonate electrolyte: a computational study
S. Klostermann, J. Kappler, A. Waigum, M. Buchmeiser, A. Köhn, and J. Kästner. Phys. Chem. Chem. Phys., (2024)
21 days ago by @theochem
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chemiekaestnerkästnertheoretischestuttgarttheochem
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1Stereoselective Ring Expansion Metathesis Polymerization with Cationic Molybdenum Alkylidyne N-Heterocyclic Carbene Complexes
P. Probst, J. Groos, D. Wang, A. Beck, K. Gugeler, J. Kästner, W. Frey, and M. Buchmeiser. J. Am. Chem. Soc., 146 (12): 8435-8446 (2024)
28 days ago by @theochem
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chemiekaestnerkästnertheoretischestuttgarttheochem
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2Spectroscopic Identification and Photochemistry of Astrochemically Relevant Phosphorus-bearing Molecules O, C, N, P and 2O, C, N, P
B. Zhu, M. Wang, J. Jiang, N. Jiang, J. Hong, G. Rauhut, G. Wang, W. Li, and X. Zeng. Astrophys. J., 964 (2): 182 (2024)
a month ago by @g.rauhut
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chemiemyownrauhutstuttgarttheochem
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2Spectroscopic Identification and Photochemistry of Astrochemically Relevant Phosphorus-bearing Molecules O, C, N, P and 2O, C, N, P
B. Zhu, M. Wang, J. Jiang, N. Jiang, J. Hong, G. Rauhut, G. Wang, W. Li, and X. Zeng. Astrophys. J., 964 (2): 182 (2024)
a month ago by @theochem
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2From the Automated Calculation of Potential Energy Surfaces to Accurate Infrared Spectra
B. Schröder, and G. Rauhut. J. Phys. Chem. Lett., 15 (11): 3159-3169 (2024)
a month ago by @g.rauhut
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1Bioanorganische Chemie in der Restaurierung: Zur Reaktivität von Metallkomplexbildnern auf historischen Gemäldeoberflächen

1The mchem bundle

1ISO-31-konformer Formelsatz in LaTeX - formelsatz.pdf

publications (hide)792
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6Collaboration on Machine-Learned Potentials with IPSuite: A Modular Framework for Learning-on-the-Fly

6Collaboration on Machine-Learned Potentials with IPSuite: A Modular Framework for Learning-on-the-Fly

3Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials

3Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials

3The reduction behavior of sulfurized polyacrylonitrile (SPAN) in lithium–sulfur batteries using a carbonate electrolyte: a computational study

3The reduction behavior of sulfurized polyacrylonitrile (SPAN) in lithium–sulfur batteries using a carbonate electrolyte: a computational study

1Stereoselective Ring Expansion Metathesis Polymerization with Cationic Molybdenum Alkylidyne N-Heterocyclic Carbene Complexes

2Spectroscopic Identification and Photochemistry of Astrochemically Relevant Phosphorus-bearing Molecules O, C, N, P and 2O, C, N, P

2Spectroscopic Identification and Photochemistry of Astrochemically Relevant Phosphorus-bearing Molecules O, C, N, P and 2O, C, N, P

2From the Automated Calculation of Potential Energy Surfaces to Accurate Infrared Spectra

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