Remarks on the use of the apparent surface charges (ASC) methods in solvation problems: Iterative versus matrix-inversion procedures and the renormalization of the apparent charges-Reference-Cited by-同舟云学术

Remarks on the use of the apparent surface charges (ASC) methods in solvation problems: Iterative versus matrix-inversion procedures and the renormalization of the apparent charges

Published:1995-12 Issue:12 Volume:16 Page:1449-1458
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Cammi R.,Tomasi J.

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference26 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. Theoretical chemistry in solution. Some results and perspectives of the continuum methods and in particular of the polarizable continuum model

3. Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent

4. Analytical derivatives for molecular solutes. I. Hartree–Fock energy first derivatives with respect to external parameters in the polarizable continuum model

5. Analytical derivatives for molecular solutes. II. Hartree–Fock energy first and second derivatives with respect to nuclear coordinates

Cited by 1329 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. Substituent effects on the ESIPT process of H2O2 sensing product 1,3-bis(bispyridin-2-ylimino) isoindolin-4-ol: A theoretical study;Journal of Photochemistry and Photobiology A: Chemistry;2025-01

2. Solvent polarity dependent photo-induced excited state intramolecular proton transfer for triphenylamine centered bis unsymmetrical azine (TPOV): A computational study;Journal of Molecular Structure;2025-01

3. Sensing mechanism of the benzo-bodipy based fluorescent probe for Hypochlorous acid detection: Invalidity of photoinduced electron transfer;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2024-12

4. Tactfully regulating the ESIPT and TICT mechanism in the AIE-active multifunctional triphenylamine Schiff-base compound (TPASB) by methyl substitution;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2024-12

5. Theoretical study on optimizing dipeptidomimetic isocyanonaphthalene chemosensor and the fluorescence mechanism for detecting Hg2+;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2024-12