Unrestricted absolutely localized molecular orbitals for energy decomposition analysis: Theory and applications to intermolecular interactions involving radicals-Reference-Cited by-同舟云学术

Unrestricted absolutely localized molecular orbitals for energy decomposition analysis: Theory and applications to intermolecular interactions involving radicals

Published:2013-04-07 Issue:13 Volume:138 Page:134119
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Horn Paul R.,Sundstrom Eric Jon,Baker Thomas A.,Head-Gordon Martin

Funder

U.S. Department of Energy

National Science Foundation

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4798224

Reference63 articles.

1. Many‐body symmetry‐adapted perturbation theory of intermolecular interactions. H2O and HF dimers

2. Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes

3. Two new symmetry-adapted perturbation theories for the calculation of intermolecular interaction energies

4. Dispersion Energy from Density-Functional Theory Description of Monomers

5. Intermolecular potentials based on symmetry-adapted perturbation theory with dispersion energies from time-dependent density-functional calculations

Cited by 92 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Kohn–Sham fragment energy decomposition analysis;The Journal of Chemical Physics;2024-09-13

2. Occupied-Virtual Orbitals for Chemical Valence with Applications to Charge Transfer in Energy Decomposition Analysis;The Journal of Physical Chemistry A;2024-06-20

3. Detangling Solvatochromic Effects by the Effective Fragment Potential Method;The Journal of Physical Chemistry A;2024-01-09

4. Cinchona‐Based Hydrogen‐Bond Donor Organocatalyst Metal Complexes: Asymmetric Catalysis and Structure Determination;ChemistryOpen;2024-01-08

5. Exactly Fragment Additive Breakdown of Polarization for Energy Decomposition Analysis Based on the Self-Consistent Field for Molecular Interactions;Journal of Chemical Theory and Computation;2023-11-21