Practical Training on Adding Polarization Function to Basis Set for Molecular Orbital Calculation of Ethylene-Reference-Cited by-同舟云学术

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Practical Training on Adding Polarization Function to Basis Set for Molecular Orbital Calculation of Ethylene

Published:2017 Issue:0 Volume:3 Page:n/a
ISSN:2189-048X
Container-title:Journal of Computer Chemistry, Japan -International Edition
language:en
Short-container-title:

Author:

NAGAOKA Shin-ichi¹,TERAMAE Hiroyuki²,NAGASHIMA Umpei³

Affiliation:

1. Department of Chemistry, Faculty of Science and Graduate School of Science and Engineering, Ehime University, Matsuyama 790-8577, Japan

2. Department of Chemistry, Faculty of Science, Josai University, 1-1 Keyakidai, Sakado 350-0295, Japan

3. Foundation for Computational Science, 7-1-28 Minatojima-minami-machi, Chuo-ku, Kobe 630-0047, Japan

Publisher

Society of Computer Chemistry Japan

Subject

Pharmacology (medical)

Link

https://www.jstage.jst.go.jp/article/jccjie/3/0/3_2016-0068/_pdf

Reference12 articles.

1. [1] C. M. Quin, Computational Quantum Chemistry: An Interactive Guide to Basis Set Theory; Academic Press: London, 2002.

2. [2] V. Walters, J. de Paula, P. Atkins, Explorations in Physical Chemistry, 2nd ed.; Oxford University Press: Oxford, 2007.

3. [3] S. Nagaoka, H. Teramae, U. Nagashima, J. Comput. Chem. Jpn., 9, 177 (2010). doi:10.2477/jccj.H2139

4. [4] S. Nagaoka, H. Teramae, U. Nagashima, J. Comput. Chem. Jpn., 9, 241 (2010). doi:10.2477/jccj.H2211

5. [5] S. Nagaoka, H. Teramae, U. Nagashima, Chem. Lett., 41, 9 (2012), (Highlight Review). doi:10.1246/cl.2012.9

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