Ab initiovibrational state calculations with a quartic force field: Applications to H2CO, C2H4, CH3OH, CH3CCH, and C6H6
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1764501
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1. Anharmonic vibrational frequencies of proton transfer coordinates in the clusters of aromatic molecules with water
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3. Simplification of the molecular vibration-rotation hamiltonian
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5. Dynamics of the reaction CH2OH+ .fwdarw. CHO+ + H2. Translational energy release from ab initio trajectory calculations
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