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分类	共搜索到 21 个相关话题(最多显示前5000个)	作者	最后发表

文献求助	Nonadiabatic Transition State Theory and ...Surface Hopping Dynamics... RyanR.ZaariandSergeyA.VarganovNonadiabaticTransitionStateTheoryandTrajectorySurfaceHoppingDynamics:IntersystemCrossingBetween3B1and1A1StatesofSiH2J.Phys.Chem.A2015119,8,1332-...	孙1986	2018-04-23 07:29
量子化学	surface hopping 不知道发在这个版块合适不合适，以后想试试surfacehopping这个方向，最近也有在慢慢地看，不知道有前辈在搞这个方向，想交个朋友向你学习下。旁边没有类似方向的同学，搞起来有点寂寞。	zhihaogong25	2017-09-20 04:27
文献求助	求论文一篇 surfacehoppingstudyoftheO(3P)+C2H2reactiondynamics:Effectofcollisionenergyontheextentofintersystemcrossinginfo'.2.'][info3]J.Chem.Phys.140,044314(2014);...	wjwang123	2016-11-21 03:00
文献求助	求JCP2016文献一篇 surfacehoppingdynamicsincondensedphasenon-adiabaticproblemsinfo'.2.'][info3]JournalofChemicalPhysicsinfo'.3.'][info4]2016info'.4.'][info5]卷:144期:9文献号:...	yxie3189	2016-11-03 06:04
文献求助	Oxygen migration on the graphene surface.2.Thermochemistry ... surface.2.Thermochemistryofbasal-planediffusion(hopping)info'.2.'][info3]Carboninfo'.3.'][info4]November2011,info'.4.'][info5]Volume49,Issue13,Pages4226–4238...	yongfang123	2016-07-30 01:48
文献求助	Nonadiabatic Transition State Theory and ...Surface Hopping Dynamics... TransitionStateTheoryandTrajectorySurfaceHoppingDynamics:IntersystemCrossingBetween3B1and1A1StatesofSiHinfo'.2.'][info3]J.Phys.Chem.A,info'.3.'][info4]2015,...	孙1986	2016-07-04 08:43
文献求助	文献求助 quasi-elasticscatteringfromspecieshoppingbetweennon-equivalentsurfacesitesinfo'.2.'][info3]SurfaceScienceinfo'.3.'][info4]Volume604,Issues17–18,30August2010,...	xbaobei	2016-06-23 01:35
文献求助	Nonadiabatic Transition State Theory and ...Surface Hopping Dynamics... TransitionStateTheoryandTrajectorySurfaceHoppingDynamics:IntersystemCrossingBetween3B1and1A1StatesofSiH2info'.2.'][info3]J.Phys.Chem.A,info'.3.'][info4]2015...	孙1986	2016-04-22 04:12
文献求助	求Ab Initio Trajectory Surface-Hopping Study on Ultrafast ... Surface-HoppingStudyonUltrafastDeactivationProcessofThiopheneinfo'.2.'][info3]J.Phys.Chem.A,info'.3.'][info4]2011,info'.4.'][info5]115(42),pp11544–11550info'....	tephoon78	2016-04-09 01:00
文献求助	求Surface Hopping Dynamics with DFT Excited States [info1]MarioBarbatti,RachelCrespo-Oteroinfo'.1.'][info2]SurfaceHoppingDynamicswithDFTExcitedStatesinfo'.2.'][info3]Density-FunctionalMethodsforExcitedStates...	tephoon78	2016-01-21 01:04
导师招生	巴黎十一大分子物理实验室招博士生 silicon(100)surface.Theexperimentsdemonstratethefeasibilityofcontrollingthemoleculardynamicsofasinglemoleculethroughthelocalizationoftheelectronicexcitation...	家家力	2015-12-14 11:57
文献求助	Analysis of the Trajectory Surface Hopping Method from the ... Prezhdoinfo'.1.'][info2]AnalysisoftheTrajectorySurfaceHoppingMethodfromtheMarkovStateModelPerspectiveinfo'.2.'][info3]J.Phys.Soc.Jpninfo'.3.'][info4]2015...	lxminim	2015-11-02 06:55
文献求助	有链接，急需，文献求助 [info2]Surfacehoppingwithamanifoldofelectronicstates.III.Transients,broadening,andtheMarcuspictureinfo'.2.'][info3]APLinfo'.3.'][info4]2015info'.4.'][info5]...	rainbowli92	2015-10-20 03:34
文献求助完结子版	Interpretation of surface flow phenomenon of adsorbed gases ...	匿名	2014-04-18 02:27
文献求助完结子版	Trajectory Surface Hopping in the Time-Dependent Kohn-Sham ...	匿名	2013-10-31 12:45
文献求助完结子版	Newton-X:a surface-hopping program for nonadiabatic ...	匿名	2013-08-20 12:10
分子模拟	surface hopping 跃迁之后的速度调整参考文献大家好，我在用surfacehopping计算激发态动力学，但是文献中说的跃迁之后要进行速度调整，但是这个调整的基本公式在哪里呢？麻烦各位大侠能给我指导一下，谢谢。	xiaoningli	2013-06-05 02:02
文献求助完结子版	Water-Mediated Proton Hopping on an Iron Oxide Surface	匿名	2012-08-05 04:41
功能材料	Water-Mediated Proton Hopping on an Iron Oxide Surface Water-MediatedProtonHoppingonanIronOxideSurface水对氧化铁表面质子作用即微量水微量水可加速化学反应从本质上说，当加入水时，氢原子通过质子传递方式扩散。氢原子从铁氧化物跳跃到临近...	石头222	2012-05-23 05:28
文献求助完结子版	Water-Mediated Proton Hopping on an Iron Oxide Surface	匿名	2012-05-21 02:14
量子化学	【求助】Fewwest switching surface hopping(FSSH)和Ehrenfest ... 谁能帮忙解释以下这两个概念Fewwestswitchingsurfacehopping(FSSH)和Ehrenfestapproximation，谢谢啦	gmy1990	2010-12-11 11:38