Variation of parameters in Becke-3 hybrid exchange-correlation functional-Reference-Cited by-同舟云学术

Variation of parameters in Becke-3 hybrid exchange-correlation functional

Published:2000-02 Issue:3 Volume:21 Page:227-238
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Abu-Awwad Fakhr,Politzer Peter

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference55 articles.

1. Self-Consistent Equations Including Exchange and Correlation Effects

2. ; Density-Functional Theory of Atoms and Molecules; Oxford University Press: New York, 1989.

3. ; Energy Density Functional Theory of Many-Electron Systems; Kluwer: Dordrecht, The Netherlands, 1990.

4. ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; Gaussian 94; Gaussian, Inc.: Pittsburgh, PA, 1995.

5. ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; Gaussian 98, Revision A.5; Gaussian, Inc.: Pittsburgh, PA, 1998.

Cited by 40 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. The Effect of Conjugated Nitrile Structures as Acceptor Moieties on the Photovoltaic Properties of Dye-Sensitized Solar Cells: DFT and TD-DFT Investigation;International Journal of Molecular Sciences;2024-06-28

2. 3-[1-(5-Amino-[1,3,4]tiadiazol-2-il)-2-(1H-imidazol-4-il)-etilimino]-2,3-dihidro-indol-2-on Molekülün Teoriksel İncelenmesi;Türk Doğa ve Fen Dergisi;2024-06-28

3. The switchable chirality and optical properties of hexabenzo[a,c,k,m,u,w]trinaphthylene controlled by synergistic effect of static electric field and substituents: A DFT study;Dyes and Pigments;2024-04

4. Discovery of Arylfluorosulfates as Novel Fungicidal Agents against Plant Pathogens;Journal of Agricultural and Food Chemistry;2024-02-08

5. Redefining Proton Affinity for Heteronuclear Molecular Species: Quantum Chemical Insights;2024