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Ab initio molecular dynamics simulations (AIMD) are systematically performed to study the Vibrational Energy Redistribution (VER) in solid nitromethane (NM) by combining normal mode decomposition and short-time Fourier transform technique. Click to show full abstract
Ab initio molecular dynamics simulations (AIMD) are systematically performed to study the Vibrational Energy Redistribution (VER) in solid nitromethane (NM) by combining normal mode decomposition and short-time Fourier transform technique.
Keywords:
molecular dynamics;
initio molecular;
vibrational energy;
energy redistribution
Journal Title: RSC Advances
Year Published: 2021
Link to full text (if available)
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Journal Title: RSC Advances
Year Published: 2021
Link to full text (if available)
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recommendations!