期刊
JOURNAL OF CHEMICAL PHYSICS
卷 134, 期 23, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3604567
关键词
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资金
- National Natural Science Foundation of China (NNSFC) [20725312, 91021010]
- Ministry of Science and Technology [2007CB815201]
- (U.S.) Department of Energy (DOE) [DE-FG02-05ER15694]
Quantum state-to-state differential cross sections, along with the absorption spectrum and product internal state distributions, have been calculated for the photodissociation of H2O in its B band on a new set of ab initio potential energy surfaces in a diabatic representation. The theoretical attributes are in good agreement with the recent experimental data, shedding light on the non-adiabatic dissociation dynamics. (C) 2011 American Institute of Physics. [doi:10.1063/1.3604567]
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