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Journal of the American Chemical Society
|
February 6, 2009
Stable "inverse" sandwich complex with unprecedented organocalcium(I): crystal structures of [(thf)(2)Mg(Br)-C(6)H(2)-2,4,6-Ph(3)] and [(thf)(3)Ca{mu-C(6)H(3)-1,3,5-Ph(3)}Ca(thf)(3)]
Sven Krieck, Helmar Görls, Lian Yu, et al.
The Journal of Physical Chemistry. A
|
September 30, 2024
Complete Active Space Iterative Coupled Cluster Theory
Robin Feldmann, Maximilian Mörchen, Jakub Lang, et al.
The Journal of Physical Chemistry. A
|
July 28, 2021
Charge-Transfer-Induced Predissociation in Rydberg States of Molecular Cations: MgAr<sup></sup>
Dominik Wehrli, Matthieu Génévriez, Stefan Knecht, et al.
The Journal of Chemical Physics
|
July 3, 2015
Selection of active spaces for multiconfigurational wavefunctions
Sebastian Keller, Katharina Boguslawski, Tomasz Janowski, et al.
Journal of Chemical Theory and Computation
|
November 1, 2019
Approximate Analytical Gradients and Nonadiabatic Couplings for the State-Average Density Matrix Renormalization Group Self-Consistent-Field Method
Leon Freitag, Yingjin Ma, Alberto Baiardi, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 1, 2014
Quantum entanglement in carbon-carbon, carbon-phosphorus and silicon-silicon bonds
Matthieu Mottet, Paweł Tecmer, Katharina Boguslawski, et al.
The Journal of Chemical Physics
|
August 24, 2020
Complete characterization of the 3p Rydberg complex of a molecular ion: MgAr<sup>+</sup>. I. Observation of the Mg(3p<sub>σ</sub>)Ar<sup>+</sup> B<sup>+</sup> state and determination of its structure and dynamics
Dominik Wehrli, Matthieu Génévriez, Stefan Knecht, et al.
Angewandte Chemie (International Ed. in English)
|
May 4, 2006
Chirality-induced switch in hydrogen-bond topology: tetrameric methyl lactate clusters in the gas phase
Thomas B Adler, Nicole Borho, Markus Reiher, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Orbital Entanglement in Bond-Formation Processes
Katharina Boguslawski, Paweł Tecmer, Gergely Barcza, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
New Benchmark Set of Transition-Metal Coordination Reactions for the Assessment of Density Functionals
Thomas Weymuth, Erik P A Couzijn, Peter Chen, et al.
Page
of 27
Search research articles
Search
Showing results (181-190 of 270) with videos related to
Sort By:
Page
of 27
Journal of the American Chemical Society
|
February 6, 2009
Stable "inverse" sandwich complex with unprecedented organocalcium(I): crystal structures of [(thf)(2)Mg(Br)-C(6)H(2)-2,4,6-Ph(3)] and [(thf)(3)Ca{mu-C(6)H(3)-1,3,5-Ph(3)}Ca(thf)(3)]
Sven Krieck, Helmar Görls, Lian Yu, et al.
The Journal of Physical Chemistry. A
|
September 30, 2024
Complete Active Space Iterative Coupled Cluster Theory
Robin Feldmann, Maximilian Mörchen, Jakub Lang, et al.
The Journal of Physical Chemistry. A
|
July 28, 2021
Charge-Transfer-Induced Predissociation in Rydberg States of Molecular Cations: MgAr<sup></sup>
Dominik Wehrli, Matthieu Génévriez, Stefan Knecht, et al.
The Journal of Chemical Physics
|
July 3, 2015
Selection of active spaces for multiconfigurational wavefunctions
Sebastian Keller, Katharina Boguslawski, Tomasz Janowski, et al.
Journal of Chemical Theory and Computation
|
November 1, 2019
Approximate Analytical Gradients and Nonadiabatic Couplings for the State-Average Density Matrix Renormalization Group Self-Consistent-Field Method
Leon Freitag, Yingjin Ma, Alberto Baiardi, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 1, 2014
Quantum entanglement in carbon-carbon, carbon-phosphorus and silicon-silicon bonds
Matthieu Mottet, Paweł Tecmer, Katharina Boguslawski, et al.
The Journal of Chemical Physics
|
August 24, 2020
Complete characterization of the 3p Rydberg complex of a molecular ion: MgAr<sup>+</sup>. I. Observation of the Mg(3p<sub>σ</sub>)Ar<sup>+</sup> B<sup>+</sup> state and determination of its structure and dynamics
Dominik Wehrli, Matthieu Génévriez, Stefan Knecht, et al.
Angewandte Chemie (International Ed. in English)
|
May 4, 2006
Chirality-induced switch in hydrogen-bond topology: tetrameric methyl lactate clusters in the gas phase
Thomas B Adler, Nicole Borho, Markus Reiher, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Orbital Entanglement in Bond-Formation Processes
Katharina Boguslawski, Paweł Tecmer, Gergely Barcza, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
New Benchmark Set of Transition-Metal Coordination Reactions for the Assessment of Density Functionals
Thomas Weymuth, Erik P A Couzijn, Peter Chen, et al.
Page
of 27