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Accurate quantum-mechanical rate constants for a linear response Azzouz-Borgis proton transfer model employing the multilayer multiconfiguration time-dependent Hartree approach
quantum-mechanical linear response Azzouz-Borgia proton transfer model time-dependent Hartree approach
2014/5/28
The multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method is applied to simulate the quantum dynamics and thermal rate constant of the Azzouz-Borgis model of proton transfer in a pola...
Dynamic Properties of Proton Transfer in the
Anharmonic-Interaction Hydrogen Bond Systems
hydrogen bond system anharmonic interaction solitary wave
2007/8/15
2001Vol.35No.5pp.615-620DOI:
Dynamic Properties of Proton Transfer in the
Anharmonic-Interaction Hydrogen Bond Systems
YAN Xun-Ling,1 DONG Rui-Xin1 and PANG Xiao-Feng2
1...
Properties of Proton Transfer in Hydrogen-Bonded Systems
at Finite Temperature
proton transfer hydrogen bond critical temperature specific heat
2007/8/15
2002Vol.38No.4pp.407-414DOI:
Properties of Proton Transfer in Hydrogen-Bonded Systems
at Finite Temperature
PANG Xiao-Feng
Institute of Life Science and Technology, Univ...