New Generation of the Reference Interaction Site Model Self-Consistent Field Method: Introduction of Constrained Spatial Electron Density Distribution (cSED)-Reference-Cited by-同舟云学术

New Generation of the Reference Interaction Site Model Self-Consistent Field Method: Introduction of Constrained Spatial Electron Density Distribution (cSED)

Published:2018-10-15 Issue:10 Volume:91 Page:1540-1545
ISSN:0009-2673
Container-title:Bulletin of the Chemical Society of Japan
language:en
Short-container-title:BCSJ

Author:

Yokogawa Daisuke¹²

Affiliation:

1. Department of Chemistry, Graduate School of Science, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi 464-8602, Japan

2. Institute of Transformative Bio-Molecules (WPI-ITbM), Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi 464-8602, Japan

Publisher

The Chemical Society of Japan

Subject

General Chemistry

Link

http://www.journal.csj.jp/doi/pdf/10.1246/bcsj.20180179

Reference69 articles.

1. Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects

2. Quantum Mechanical Continuum Solvation Models

3. COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

4. A scaled particle theory of aqueous and nonaqueous solutions

5. Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

Cited by 22 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. Spin–Spin Coupling Constant Based on Reference Interaction Site Model Self-Consistent Field with Constrained Spatial Electron Density;The Journal of Physical Chemistry Letters;2024-07-15

2. 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

3. 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

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