3DRISM Multigrid Algorithm for Fast Solvation Free Energy Calculations-Reference-Cited by-同舟云学术

3DRISM Multigrid Algorithm for Fast Solvation Free Energy Calculations

Published:2012-05-14 Issue:6 Volume:8 Page:2062-2070
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Sergiievskyi Volodymyr P.¹,Fedorov Maxim V.²

Affiliation:

1. Max Planck Institute for Mathematics in the Sciences, Inselstrasse 22, 04103 Leipzig, Germany

2. Nanoscience Division, Department of Physics, Scottish Universities Physics Alliance (SUPA), Strathclyde University, Room JA 6.10, John Anderson Building 107, Rottenrow East Glasgow, United Kingdom G4 0NG

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct200815v

Reference74 articles.

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

2. A hybrid approach for the solvent effect on the electronic structure of a solute based on the RISM and Hartree-Fock equations

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

Cited by 25 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. RISMiCal: A software package to perform fast RISM/3D‐RISM calculations;Journal of Computational Chemistry;2024-03-12

2. Effect of Conformational Equilibrium on Solvation Properties of 1,2-DCE in Water: A Solvation Thermodynamics and 3D-RISM Study;The Journal of Physical Chemistry B;2023-01-10

3. A 3D-RISM-KH study of liquid nitromethane, nitroethane, and nitrobenzene as solvents;Journal of Molecular Liquids;2021-06

4. Enhanced solvation force extrapolation for speeding up molecular dynamics simulations of complex biochemical liquids;The Journal of Chemical Physics;2019-12-07

5. Correction terms for the solvation free energy functional of three-dimensional reference interaction site model based on the reference-modified density functional theory;Journal of Molecular Liquids;2019-10