화학공학소재연구정보센터
검색결과 : 5건
No. Article
1 Ultrafast vibrational relaxation and energy dissipation of hydrated excess protons in polar solvents
Kundu A, Dahms F, Fingerhut BP, Nibbering ETJ, Pines E, Elsaesser T
Chemical Physics Letters, 713, 111, 2018
2 Reactive molecular dynamics models from ab initio molecular dynamics data using relative entropy minimization
Arntsen C, Chen C, Voth GA
Chemical Physics Letters, 683, 573, 2017
3 The nonplanarity of the peptide group: Molecular dynamics simulations with a polarizable two-state model for the peptide bond
Rick SW, Cachau RE
Journal of Chemical Physics, 112(11), 5230, 2000
4 On the molecular basis of water hydrolysis. A detailed ab initio study
Bernal-Uruchurtu MI, Ortega-Blake I
Journal of Physical Chemistry A, 103(7), 884, 1999
5 Isomeric transitions between linear and cyclic H+(C3H3OH)(4,5): Implications for proton migration in liquid methanol
Chang HC, Jiang JC, Lin SH, Lee YT, Chang HC
Journal of Physical Chemistry A, 103(16), 2941, 1999