Ab initio molecular dynamics simulation of vibrational energy redistribution of selective excitation of C–H stretching vibrations for solid nitromethane
2019 ◽
Vol 21
(37)
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pp. 20822-20828
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Keyword(s):
Vibrational energy redistribution after selective excitation in nitromethane was simulated by ab initio molecular dynamics which could be directly compared with the 3D IR-Raman spectra, and provide more information of the internal mechanism.
2020 ◽
Vol 124
(40)
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pp. 8184-8191
2021 ◽
pp. 87-99
2008 ◽
Vol 112
(25)
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pp. 7566-7573
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2004 ◽
Vol 47
(7)
◽
pp. 92
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2003 ◽
Vol 118
(8)
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pp. 3639-3645
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2020 ◽
Vol 816
◽
pp. 152680
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