Structures of Molecules in Ground and Excited Vibrational States from Quasiclassical Direct ab Initio Molecular Dynamics-Reference-Cited by-同舟云学术

Structures of Molecules in Ground and Excited Vibrational States from Quasiclassical Direct ab Initio Molecular Dynamics

Published:2010-05-10 Issue:21 Volume:114 Page:6273-6283
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Yamada Tomonori¹,Aida Misako¹

Affiliation:

1. Center for Quantum Life Sciences and Department of Chemistry, Graduate School of Science, Hiroshima University, 1-3-1 Kagamiyama, Higashi-Hiroshima, 739-8526 Japan

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp912269v

Reference27 articles.

1. Fundamental absorption frequencies and mean structures at vibrational ground state from quasi-classical direct ab initio MD: Triatomic molecule

2. Fundamental absorption frequency from quasi-classical direct ab initio molecular dynamics: diatomic molecule

3. Temperature and isotope effects on water cluster ions with path integral molecular dynamics based on the fourth order Trotter expansion

4. Quantum studies of the vibrations in H3O2− and D3O2−

5. CVRQD ab initio ground-state adiabatic potential energy surfaces for the water molecule

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