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Journal of Chemical Theory and Computation
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December 5, 2015
Relativistic Effects on the Topology of the Electron Density
Georg Eickerling, Remigius Mastalerz, Verena Herz, et al.
The Journal of Chemical Physics
|
June 15, 2015
Density matrix renormalization group with efficient dynamical electron correlation through range separation
Erik Donovan Hedegård, Stefan Knecht, Jesper Skau Kielberg, et al.
Angewandte Chemie (International Ed. in English)
|
December 24, 2015
Nitrous Oxide as a Hydrogen Acceptor for the Dehydrogenative Coupling of Alcohols
Thomas L Gianetti, Samuel P Annen, Gustavo Santiso-Quinones, et al.
Journal of Chemical Theory and Computation
|
April 15, 2025
Multiscale Embedding for Quantum Computing
Leah P Weisburn, Minsik Cho, Moritz Bensberg, et al.
The Journal of Physical Chemistry. B
|
May 11, 2007
The first photoexcitation step of ruthenium-based models for artificial photosynthesis highlighted by resonance Raman spectroscopy
Carmen Herrmann, Johannes Neugebauer, Martin Presselt, et al.
The Journal of Physical Chemistry. A
|
March 21, 2019
Training Neural Nets To Learn Reactive Potential Energy Surfaces Using Interactive Quantum Chemistry in Virtual Reality
Silvia Amabilino, Lars A Bratholm, Simon J Bennie, et al.
Inorganic Chemistry
|
December 5, 2006
Trinuclear copper(II) complexes derived from Schiff-base ligands based on a 6-amino-6-deoxyglucopyranoside: structural and magnetic characterization
Arne Roth, Jana Becher, Carmen Herrmann, et al.
Digital Discovery
|
June 14, 2023
Quantum chemical data generation as fill-in for reliability enhancement of machine-learning reaction and retrosynthesis planning
Alessandra Toniato, Jan P Unsleber, Alain C Vaucher, et al.
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
August 21, 2008
Coordination and binding geometry of methyl-coenzyme M in the red1m state of methyl-coenzyme M reductase
Dariush Hinderberger, Sieglinde Ebner, Stefan Mayr, et al.
Accounts of Chemical Research
|
December 17, 2021
Expansive Quantum Mechanical Exploration of Chemical Reaction Paths
Alberto Baiardi, Stephanie A Grimmel, Miguel Steiner, et al.
Page
of 27
Search research articles
Search
Showing results (221-230 of 270) with videos related to
Sort By:
Page
of 27
Journal of Chemical Theory and Computation
|
December 5, 2015
Relativistic Effects on the Topology of the Electron Density
Georg Eickerling, Remigius Mastalerz, Verena Herz, et al.
The Journal of Chemical Physics
|
June 15, 2015
Density matrix renormalization group with efficient dynamical electron correlation through range separation
Erik Donovan Hedegård, Stefan Knecht, Jesper Skau Kielberg, et al.
Angewandte Chemie (International Ed. in English)
|
December 24, 2015
Nitrous Oxide as a Hydrogen Acceptor for the Dehydrogenative Coupling of Alcohols
Thomas L Gianetti, Samuel P Annen, Gustavo Santiso-Quinones, et al.
Journal of Chemical Theory and Computation
|
April 15, 2025
Multiscale Embedding for Quantum Computing
Leah P Weisburn, Minsik Cho, Moritz Bensberg, et al.
The Journal of Physical Chemistry. B
|
May 11, 2007
The first photoexcitation step of ruthenium-based models for artificial photosynthesis highlighted by resonance Raman spectroscopy
Carmen Herrmann, Johannes Neugebauer, Martin Presselt, et al.
The Journal of Physical Chemistry. A
|
March 21, 2019
Training Neural Nets To Learn Reactive Potential Energy Surfaces Using Interactive Quantum Chemistry in Virtual Reality
Silvia Amabilino, Lars A Bratholm, Simon J Bennie, et al.
Inorganic Chemistry
|
December 5, 2006
Trinuclear copper(II) complexes derived from Schiff-base ligands based on a 6-amino-6-deoxyglucopyranoside: structural and magnetic characterization
Arne Roth, Jana Becher, Carmen Herrmann, et al.
Digital Discovery
|
June 14, 2023
Quantum chemical data generation as fill-in for reliability enhancement of machine-learning reaction and retrosynthesis planning
Alessandra Toniato, Jan P Unsleber, Alain C Vaucher, et al.
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
August 21, 2008
Coordination and binding geometry of methyl-coenzyme M in the red1m state of methyl-coenzyme M reductase
Dariush Hinderberger, Sieglinde Ebner, Stefan Mayr, et al.
Accounts of Chemical Research
|
December 17, 2021
Expansive Quantum Mechanical Exploration of Chemical Reaction Paths
Alberto Baiardi, Stephanie A Grimmel, Miguel Steiner, et al.
Page
of 27