REAGENT

作品数：370被引量：405H指数：8
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Vector correlations study of the reaction N(~2D) + H_2(X^1Σ_g^+) →NH(a^1?) + H(~2S) with different collision energies and reagent vibration excitations
《Chinese Physics B》2015年第11期224-230,共7页李永庆 张永嘉 赵金峰 赵美玉 丁勇 
supported by the National Natural Science Foundation of China(Grant Nos.11474141 and11404080);the Special Fund Based Research New Technology of Methanol conversion and Coal Instead of Oil;the China Postdoctoral Science Foundation(Grant No.2014M550158);the Scientific Research Foundation for the Returned Overseas Chinese Scholars,State Education Ministry of China(Grant No.2014-1685);the Program for Liaoning Excellent Talents in University,China(Grant Nos.LJQ2015040 and LJQ2014001)
Vector correlations of the reaction N（2D） ＋H2（X1∑g＋） NH（a1△）→ ＋ H（2S） are studied based on a recent DMBE- SEC PES for the first excited state ofNH2 [J. Phys. Chem. A 114 9644 （2010）] by using a quasi-...
关键词：vector correlations vibrational excitation differential cross section STEREODYNAMICS rotationalpolarization 
Effects of the vibrational and rotational excitation of reagent on the stereodynamics of the reaction S (3P) ＋ H2→ SH ＋ H被引量：1
《Chinese Physics B》2014年第6期580-586,共7页单广玲 王美山 杨传路 李艳青 
supported by the National Natural Science Foundation of China(Grant Nos.11074103,10974078,and 11174117);the Discipline Construction Fund of Ludong University,China
Quasiclassical trajectory （QCT） calculations are first carried out to study the stereodynamics of the S （3p） ＋ H2 → SH ＋ H reaction based on the ab initio 13Atr potential energy surface （PES） （Lii etal. 2012...
关键词：STEREODYNAMICS QCT method vector correlation vibrational and rotational excitation 
The reagent vibrational excitation effect on the stereodynamics of the reaction O(~1D)+HBr→OH+Br
《Chinese Physics B》2013年第8期394-398,共5页张莹莹 石英 解廷献 金明星 胡湛 
supported by the Natural Science Fund from Jilin University,China(Grant No.419080106440);the Chinese National Fusion Project for ITER(GrantNo.2010GB104003);the National Natural Science Foundation of China(Grant No.10974069)
Calculations on the dynamics of the reaction O（ 1 D） ＋ HBr --＋ OH Br are performed on the ab initio potential energy surfaces （PESs） of the ground state given by Peterson [Peterson K A J. Chem. Phys. 113 4598 ...
关键词：STEREODYNAMICS quasi-classical trajectory polarization-dependent generalized differential crosssections 
Influence of the reagent vibration on the stereodynamics of the reactions D^-+H_2 and H^-+D_2被引量：1
《Chinese Physics B》2012年第2期266-271,共6页Chen Xiao-Qiong Wang Mei-Shan Yang Chuan-Lu Wu Ji-Cheng 
supported by the National Natural Science Foundation of China (Grant No.11074103);the Discipline ConstructionFund of Ludong University,China
Employing the quasi-classical trajectory method and the potential energy surface of Panda and Sathyamurhy [Panda A N and Sathyamurthy N 2004 J. Chem. Phys. 121 9343], the effect of the reagent vibration on vector corr...
关键词：quasi-classical trajectory generalized polarization dependent differential cross sections stereodynamics vector correlation 
Influence of reagent vibration on the stereodynamics of the Li+HF→LiF+H reaction
《Chinese Physics B》2012年第1期158-162,共5页Li Shu-Juan Shi Ying Xie Ting-Xian Jin Min-Xing 
Project supported by Jilin University,China(Grant No.419080106440);the Chinese National Fusion Project for ITER(Grant No.2010GB104003);the National Natural Science Foundation of China(Grant No.10974069)
We investigate the influence of reagent vibration on the stereodynamics of the title reaction by the quasi-classmal trajectory on the Aguado-Paniagua2-potential energy surface developed by Aguado et al. （J. Chem. Phy...
关键词：quasi-classical trajectory vector correlation cross sections STEREODYNAMICS 
Effect of reagent vibrational excitation and isotope substitution on the stereo-dynamics of the Ba+HF→BaF+H reaction
《Chinese Physics B》2011年第4期295-300,共6页赵娟 罗一 
Based on an extended London-Eyring-Polanyi-Sato （LEPS） potential energy surface （PES）, the Ba q-HF reaction has been studied by the quasi-classical trajectory （QCT） method. The reaction integral cross section as...
关键词：quasi-classical trajectory method London-Eyring-Polanyi-Sato potential energy surface vibrational excitation of the reagent isotope substitution 
Effect of the reagent vibration on stereodynamics of the reaction O（^1D）＋HF→F＋OH被引量：1
《Chinese Physics B》2009年第12期5308-5312,共5页许燕 赵娟 岳大光 刘浩 郑晓云 孟庆田 
Project supported by the National Natural Science Foundation of China (Grant No 10574083);the Natural Science Foundation of Shandong Province of China (Grant No Y2006A23);partially by the National Basic Research Program of China (GrantNo 2006CB806000)
This paper studies the influence of the reagent vibration on the reaction O（1D）＋HF→HO＋F by using a quasiclassical trajectory method on the new ab initio 1A＇ ground singlet potential energy surface （Gomez-Carras...
关键词：vector correlation polarization-dependent differential cross section vibration of the reactant molecule quasi-classical trajectory 
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