New generation of the reference interaction site model self-consistent field method: Introduction of spatial electron density distribution to the solvation theory-Reference-Cited by-同舟云学术

New generation of the reference interaction site model self-consistent field method: Introduction of spatial electron density distribution to the solvation theory

Published:2007-06-28 Issue:24 Volume:126 Page:244504
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Yokogawa Daisuke,Sato Hirofumi,Sakaki Shigeyoshi

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.2742380

Reference23 articles.

1. Quantum Mechanical Continuum Solvation Models

2. Reference interaction site model self‐consistent field study for solvation effect on carbonyl compounds in aqueous solution

3. Analytical energy gradient for the reference interaction site model multiconfigurational self‐consistent‐field method: Application to 1,2‐difluoroethylene in aqueous solution

4. Optimized Cluster Expansions for Classical Fluids. II. Theory of Molecular Liquids

5. An extended rism equation for molecular polar fluids

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1. Vibrational Self-Consistent Field (VSCF) and Post-VSCF Method Calculations Combined with the Reference Interaction Site Model Self-Consistent Field Method Coupled with the Constrained Spatial Electron Density Distribution: Applications to NaHCOO in Aqueous Phase;Journal of Chemical Theory and Computation;2024-05-30

2. Lagrangian of extended multiconfigurational self-consistent field second-order quasidegenerate perturbation theory combined with reference interaction site model self-consistent field constraint spatial electron density;The Journal of Chemical Physics;2024-03-19

3. Predicting the solubility of gases in imidazolium-based ionic liquids with SAFT-VR Mie EoS by a novel approach based on COSMO;Chemical Engineering Science;2024-03

4. Recent developments and applications of reference interaction site model self-consistent field with constrained spatial electron density (RISM-SCF-cSED): A hybrid model of quantum chemistry and integral equation theory of molecular liquids;The Journal of Chemical Physics;2024-02-07

5. Theoretical Study of Raman Intensities of p-Nitroaniline in Different Solvent Conditions by Using a Reference Interaction Site Model Self-Consistent Field Explicitly Including Constrained Spatial Electron Density Distribution;The Journal of Physical Chemistry B;2023-12-15