Accurate double many-body expansion potential energy surface by extrapolation to the complete basis set limit and dynamics calculations for ground state of NH2-Reference-Cited by-同舟云学术

Accurate double many-body expansion potential energy surface by extrapolation to the complete basis set limit and dynamics calculations for ground state of NH2

Published:2013-05-10 Issue:19 Volume:34 Page:1686-1696
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Li Yongqing¹,Yuan Jiuchuang²,Chen Maodu²,Ma Fengcai¹,Sun Mengtao³

Affiliation:

1. Department of Physics; Liaoning University; Shenyang; 110036; China

2. School of Physics and Optoelectronic Technology; Dalian University of Technology; Dalian; 116024; China

3. Beijing National Laboratory for Condensed Matter Physics; Institute of Physics; Chinese Academy of Sciences; Beijing; 100190; China

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23310/fullpdf

Reference72 articles.

1. Theoretical study of NH2: Potential curves, transition moments, and photodissociation cross sections

2. NH (X 3∑−, v=1–3) formation and vibrational relaxation in electron‐irradiated Ar/N2/H2 mixtures

3. Production of NH(ND) radicals in the reactions of N(22D) with H2(D2): Nascent vibrational distributions of NH(X 3Σ−) and ND(X 3Σ−)

4. Nascent rotational and vibrational state distributions of NH(X 3Σ−) and ND(X 3Σ−) produced in the reactions of N(2 2D) with H2 and D2

5. Exploring the reaction dynamics of nitrogen atoms: A combined crossed beam and theoretical study of N(2D)+D2→ND+D

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