Scaled Effective One-Electron Method Based on G2 Theory: Results for Aliphatic Alkane Molecules-Reference-Cited by-同舟云学术

Scaled Effective One-Electron Method Based on G2 Theory: Results for Aliphatic Alkane Molecules

Published:1998-06-16 Issue:4 Volume:38 Page:632-638
ISSN:0095-2338
Container-title:Journal of Chemical Information and Computer Sciences
language:en
Short-container-title:J. Chem. Inf. Comput. Sci.

Author:

Tasi Gyula¹,Mizukami Fujio¹

Affiliation:

1. Department of Surface Chemistry, National Institute of Materials and Chemical Research, 1-1 Higashi, Tsukuba, Ibaraki 305, Japan, and Applied Chemistry Department, József Attila University, Rerrich B. tér 1, H-6720 Szeged, Hungary

Publisher

American Chemical Society (ACS)

Subject

Computational Theory and Mathematics,Computer Science Applications,Information Systems,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci980001z

Reference27 articles.

1. An Extended Hückel Theory. I. Hydrocarbons

2. Molecular geometries by the Extended Hueckel Molecular Orbital (EHMO) method

3. Fast geometry optimization using a modified extended Hückel method: Results for molecules containing H, C, N, O, and F

4. A new program for effective one-electron (EHMO-ASED) calculations

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