Vibrational frequencies of H2O and CO2 from Car-Parrinello...

Journal of Molecular Structure: THEOCHEM 1998 Vol. 425; Iss. 1-2

Vibrational frequencies of H2O and CO2 from Car-Parrinello molecular dynamics

Valérie Wathelet, Benoît Champagne, David H. Mosley, Éric A. Perpète, Jean-Marie André
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Volume:
425
Year:
1998
Language:
english
Pages:
6
DOI:
10.1016/s0166-1280(97)00161-9
File:
PDF, 516 KB
english, 1998
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