43 citations · 69 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2008★ 26 cited
Quantum and classical vibrational relaxation dynamics of N-methylacetamide on ab initio potential energy surfaces
Hiroshi Fujisaki, Kiyoshi Yagi, Kimihiko Hirao +2
Employing extensive quantum-chemical calculations at the DFT/B3LYP and MP2 level, a quartic force field of isolated N-methylacetamide is constructed. Taking into account 24 vibrati…
q-bio.BM2007★ 43 cited
Quantum dynamics of N-methylacetamide studied by the vibrational configuration interaction method
Hiroshi Fujisaki, Kiyoshi Yagi, Kimihiko Hirao +1
Vibrational energy transfer of the amide I mode of N-methylacetamide (NMA) is studied theoretically using the vibrational configuration interaction method. A quartic force field of…