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Ab Initio Calculations and Molecular Dynamics Simulations of Intramolecular Charge Transfer in 4-(N,N-Dimethylamino)benzonitrile

机译：4-（N，N-二甲基氨基）苄腈中分子内电荷转移的从头算计算和分子动力学模拟

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Sudholt W.; Sobolewski A. L.; Staib A.; Domcke W.;
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年度 2000
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原文格式 PDF
正文语种 eng
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1. Molecular-dynamics simulations of solvent effects in the intramolecular charge transfer of 4-(N,N-dimethylamino)benzonitrile [J] . Sudholt W., Sobolewski AL., Domcke W., Physical chemistry chemical physics: PCCP . 2000,第19期

机译：分子动力学模拟中4-（N，N-二甲基氨基）苄腈的分子内电荷转移中溶剂效应的分子动力学模拟
2. Ab initio study of the amino group twisting and wagging reaction paths in the intramolecular charge transfer of 4-(N,N-dimethylamino)benzonitrile [J] . Wibke Sudholt, Andrzej L. Sobolewski, Wolfgang Domcke Chemical Physics: A Journal Devoted to Experimental and Theoretical Research Involving Problems of Both a Chemical and Physical Nature . 1999,第1a2期

机译：从头开始研究4-（N，N-二甲基氨基）苄腈分子内电荷转移中氨基的扭曲和波动反应路径
3. Intramolecular Charge-Transfer Excited-State Processes in 4-(N,N-Dimethylamino)benzonitrile: The Role of Twisting and the pi sigma* State [J] . Georgieva Ivelina, Aquino Adelia J. A., Plasser Felix, The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2015,第24期

机译：4-（N，N-二甲基氨基）苄腈中的分子内电荷转移激发态过程：扭曲和pi sigma *状态的作用
4. Intramolecular Charge Transfer Dynamics of a Planarized Analogue of 4-(dimethylamino)benzonitrile (DMABN) by Time-Resolved Fluorescence [C] . Myeongkee Park, So Young Kim, D. Im, International Conference on Ultrafast Phenomena . 2013

机译：通过时间分辨荧光对4-（二甲基氨基）苄腈（DMABN）的平坦化类似物的分子内电荷动力学
5. Terascale ab initio molecular dynamics simulations of proton transfer and dissociation processes in chemical and biological systems. [D] . Ivanov, Ivaylo Nikolaev. 2004

机译：兆亿级从头算起的分子动力学模拟，用于化学和生物系统中的质子转移和解离过程。
6. Intramolecular Charge-Transfer Excited-State Processesin 4-(NN-Dimethylamino)benzonitrile: The Role of Twisting and the πσ*State [O] . Ivelina Georgieva, *, Adélia J.A. Aquino, -1

机译：分子内电荷转移激发态过程4-（NN-二甲基氨基）苄腈中的分子：加捻和πσ*的作用州
7. Picosecond and Nanosecond Fluorescence Decays of 4-(Dimethylamino)phenylacetylene in Comparison with Those of 4-(Dimethylamino)benzonitrile. No Evidence for Intramolecular Charge Transfer and a Nonfluorescing Intramolecular Charge Transfer State [O] . K. A. Zachariasse, T. Yoshihara, S. I. Druzhinin 2002

机译：与4-（二甲基氨基）苄腈的菲秒和纳秒荧光衰减为4-（二甲基氨基）苯乙烯。没有分子内电荷转移的证据和非滚石分子内电荷转移状态
8. Stepwise Solvation of the Intramolecular-Charge-Transfer Molecule p-(Dimethylamino)benzonitrile [R] . Peng, L. W., Dantus, M., Zewail, A. H., 1987

机译：逐步溶剂化分子内电荷转移分子对 - （二甲氨基）苄腈

Ab Initio Calculations and Molecular Dynamics Simulations of Intramolecular Charge Transfer in 4-(N,N-Dimethylamino)benzonitrile

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