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浏览/检索结果: 共5条，第1-5条 帮助 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 Two-layer Gaussian-based MCTDH study of the S-1 <- S-0 vibronic absorption spectrum of formaldehyde using multiplicative neural network potentials 期刊论文 JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 151, 期号: 6, 页码: 13 作者:  Koch, Werner;  Bonfanti, Matteo;  Eisenbrandt, Pierre;  Nandi, Apurba;  Fu, Bina 收藏  |  浏览/下载：38/0  |  提交时间：2019/12/02 DFT simulation of the heteroannelated octatetraenes vibronic spectra with the Franck-Condon and Herzberg-Teller approaches including Duschinsky effect 期刊论文 CHEMICAL PHYSICS, 2015, 卷号: 459, 页码: 65-71 作者:  Karaush, Nataliya N.;  Valiev, Rashid R.;  Baryshnikov, Gleb V.;  Minaev, Boris F.;  Agren, Hans 收藏  |  浏览/下载：15/0  |  提交时间：2015/11/02 Circulene  Vibronic effects  Heteroannelated octatetraenes  Franck-Condon factor  Herzberg-Teller approximation  Shpolsky spectra   Assessment of mode-mixing and Herzberg-Teller effects on two-photon absorption and resonance hyper-Raman spectra from a time-dependent approach 期刊论文 http://dx.doi.org/10.1063/1.4867273, 2014 Ma, HuiLi; Zhao, Yi; Liang, WanZhen; 赵仪; 梁万珍 收藏  |  浏览/下载：5/0  |  提交时间：2015/07/22 DENSITY-FUNCTIONAL THEORY  FRANCK-CONDON PRINCIPLE  FLUORESCENT PROTEINS  POLYATOMIC-MOLECULES  EXCITATION PROFILES  INCLUDING DUSCHINSKY  VIBRONIC TRANSITIONS  DYNAMICAL SYMMETRY  INTENSITY ANALYSIS  RESPONSE FUNCTIONS   Time-Dependent Approach to Resonance Raman Spectra Including Duschinsky Rotation and Herzberg-Teller Effects: Formalism and Its Realistic Applications 期刊论文 http://dx.doi.org/10.1021/ct300640c, 2012 Ma, Huili; Liu, Jie; Liang, WanZhen; 梁万珍 收藏  |  浏览/下载：4/0  |  提交时间：2015/07/22 DENSITY-FUNCTIONAL THEORY  TAMM-DANCOFF APPROXIMATION  FRANCK-CONDON PRINCIPLE  POLYATOMIC-MOLECULES  VIBRONIC TRANSITIONS  DYNAMICAL SYMMETRY  SCATTERING  ABSORPTION  SPECTROSCOPY  INTENSITIES   Theory of Excited State Decays and Optical Spectra: Application to Polyatomic Molecules 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY A, 2010, 卷号: 114, 期号: 30, 页码: 7817-7831 作者:  Niu, Yingli;  Peng, Qian;  Deng, Chunmei;  Gao, Xing;  Shuai, Zhigang 收藏  |  浏览/下载：13/0  |  提交时间：2019/04/09