Energy Decomposition Scheme Based on the Generalized Kohn–Sham Scheme-Reference-Cited by-同舟云学术

Energy Decomposition Scheme Based on the Generalized Kohn–Sham Scheme

Published:2014-03-20 Issue:13 Volume:118 Page:2531-2542
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Su Peifeng¹,Jiang Zhen¹,Chen Zuochang¹,Wu Wei¹

Affiliation:

1. The State Key Laboratory of Physical Chemistry of Solid Surfaces, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, and College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, Fujian 361005, China

Funder

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp500405s

Reference110 articles.

1. Molecular Orbital Studies of Hydrogen Bonds. III. C=O···H–O Hydrogen Bond in H2CO···H2O and H2CO···2H2O

2. A new energy decomposition scheme for molecular interactions within the Hartree-Fock approximation

3. Why do molecules interact? The origin of electron donor-acceptor complexes, hydrogen bonding and proton affinity

4. Energy Decomposition Analyses for Many-Body Interaction and Applications to Water Complexes

5. Natural energy decomposition analysis: An energy partitioning procedure for molecular interactions with application to weak hydrogen bonding, strong ionic, and moderate donor–acceptor interactions

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