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浏览/检索结果: 共4条，第1-4条 帮助 限定条件 专题：厦门大学    第一署名单位    第一作者单位    通讯作者单位     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Theoretical Insights into Intermolecular Hydrogen-Bonding Strengthening in Fluorenone-Methanol Complexes Induced by Electronic Excitation and Bulk Solvent Effect 期刊论文 http://dx.doi.org/10.1063/1674-0068/26/06/617-626, 2013 Sun, Chao; Liu, Jie; Liang, Wan-zhen; Zhao, Yi; 刘婕; 梁万珍; 赵仪 收藏  |  浏览/下载：5/0  |  提交时间：2015/07/22 DENSITY-FUNCTIONAL THEORY  INTRAMOLECULAR CHARGE-TRANSFER  TAMM-DANCOFF APPROXIMATION  EXCITED-STATE PROPERTIES  INFRARED-SPECTRA  DYNAMICS  MODEL  ENERGIES  4-DIMETHYLAMINOBENZONITRILE  FLUORESCENCE   Theory and algorithms for the excited states of large molecules and molecular aggregates 期刊论文 http://dx.doi.org/10.1007/s11426-013-4907-8, 2013 Liang, Wanzhen; Wu, Wei; 梁万珍; 吴玮 收藏  |  浏览/下载：2/0  |  提交时间：2015/07/22 Algorithms  Calculations  Computational methods  Density functional theory  Electronic structure  Excited states  Hamiltonians  Molecular dynamics  Molecules  Photovoltaic cells   The Third Dimension of a More O'Ferrall-Jencks Diagram for Hydrogen Atom Transfer in the Isoelectronic Hydrogen Exchange Reactions of (PhX)(2)H-center dot with X = O, NH, and CH2 期刊论文 http://dx.doi.org/10.1021/ct3004595, 2012 Cembran, A.; Provorse, M. R.; Wang, C. W.; Wu, W.; Gao, J. L.; 吴玮 收藏  |  浏览/下载：5/0  |  提交时间：2013/12/12 COUPLED ELECTRON-TRANSFER  DENSITY-FUNCTIONAL THEORY  VALENCE-BOND THEORY  POTENTIAL-ENERGY SURFACES  AB-INITIO  TRANSFER MECHANISMS  CHEMICAL-REACTIONS  S(N)2 REACTION  RATE CONSTANTS  MARCUS-THEORY   Quantum model simulation of complete S-0 -> S-1 population transfer by means of intense laser pulses with opposite chirp 期刊论文 2000 赵仪 收藏  |  浏览/下载：2/0  |  提交时间：2013/12/12 WAVE-PACKET EVOLUTION  DIATOMIC-MOLECULES  VIBRATIONAL-EXCITATION  LADDER SYSTEM  MECHANICAL CALCULATIONS  SELECTIVE EXCITATION  ADIABATIC PASSAGE  ELECTRONIC-STATE  COUPLED BRIGHT  DARK STATES