Polarization correction to the electrostatic potential at the CNDO and theab initio level. Influence of the basis set expansion-Reference-Cited by-同舟云学术

Polarization correction to the electrostatic potential at the CNDO and theab initio level. Influence of the basis set expansion

Published:1991 Issue:2 Volume:79 Page:141-152
ISSN:0040-5744
Container-title:Theoretica Chimica Acta
language:en
Short-container-title:Theoret. Chim. Acta

Author:

Dehareng D.,Dive G.,Ghuysen J. M.

Publisher

Springer Science and Business Media LLC

Subject

Chiropractics,Physical and Theoretical Chemistry

Link

http://link.springer.com/content/pdf/10.1007/BF01127102.pdf

Reference35 articles.

1. Goursot A, Fajula F, Daul C, Weber J (1988) J Phys Chem 92:4456?4461

2. Murray J, Politzer P (1988) Chem Phys Lett 152:364?370

3. Truhlar DG (1981) In: Politzer P, Truhlar DG (eds) Chemical applications of atomic and molecular electrostatic potentials. Plenum Press, New York

4. Weinstein H, Osman R, Green JP, Topiol S (1981) In: Politzer P, Truhlar DG (eds) Chemical applications of atomic and molecular electrostatic potentials. Plenum Press, New York

5. Daudel R, Le Rouzo H, Cimiraglia R, Tomasi J (1978) Int J Quant Chem 13:537?552

Cited by 15 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. Greedy Theory Using Improved Performance Prim’s Algorithm, Big Bang Speedup of the Bellman–Ford Algorithm;Mobile Radio Communications and 5G Networks;2023

2. Geometry optimization, HOMO and LUMO energy, molecular electrostatic potential, NMR, FT-IR and FT-Raman analyzes on 4-nitrophenol;The European Physical Journal Applied Physics;2015-01

3. Principal component analysis of the effects of wavefunction modification on the electrostatic potential of indole;International Journal of Quantum Chemistry;2005

4. Catalytic reaction pathways approached by quantum chemistry: a challenge;Cellular and Molecular Life Sciences CMLS;1998-04

5. Hydrogen-bonding effects, electrostatic potential, and the antitumor activity of flavone acetic acid and related compounds. II. Ab initio studies on the second stable conformations;International Journal of Quantum Chemistry;1996-11-15