STEREODYNAMICS

作品数:63被引量:14H指数:2
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相关领域:理学更多>>
相关作者:石英张庆刚解廷献刘新国梁景娟更多>>
相关机构:山东师范大学吉林大学大连交通大学济宁学院更多>>
相关期刊:《Communications in Theoretical Physics》《Wuhan University Journal of Natural Sciences》《Chinese Physics B》《Chinese Journal of Chemical Physics》更多>>
相关基金:国家自然科学基金中国博士后科学基金国家重点基础研究发展计划河南省自然科学基金更多>>
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Effects of rotational excitation on vibrationally excited reaction of F+H_(2)(v=1,j=1)→HF+H at collision energy of 0.62 kcal/mol
《Chinese Journal of Chemical Physics》2024年第6期851-856,I0043,共7页Wei Wang Yurun Xie Long Huang Tiangang Yang Shu Liu Chunlei Xiao Donghui Zhang Xueming Yang 
the National Natural Science Foundation of China(Nos.22288201,22173040,22241301,22103032);the Chinese Academy of Sciences(No.GJJSTD20220001),the Innovation Program for Quantum Scienceand Technology(No.2021ZD0303300);the Guangdong Science and Technology Program(Nos.2019ZT08L455,2019JC01X091);the Shenzhen Science and Technology Innovation Committee(Nos.JCYJ20210324103810029,20220815145746004,and 2021344670);the Shenzhen Science and Technology Program(No.DSYS20200421111001787).
The F+H_(2)reaction has long been a benchmark system in reaction dynamics.We report here a combined experimental and theoretical study on the F+H_(2)(v=1,j=1)reaction at a collision energy of 0.62 kcal/mol.The rotatio...
关键词:F+H_(2) Vibrationally excited reaction Crossed beam experiment STEREODYNAMICS Rotational excitation 
Quantum and quasiclassical dynamics of C(^(3)P)+H_(2)(^(1Σ_(g)^(+)))→H(^(2)S)+CH(^(2)Ⅱ)reaction:Coriolis coupling effects and stereodynamics
《Chinese Physics B》2022年第4期255-260,共6页Dong Liu Lulu Zhang Juan Zhao Qin Zhang Yuzhi Song Qingtian Meng 
Project supported by the National Natural Science Foundation of China(Grant Nos.11904394 and 12004216);the Natural Science Foundation of Shandong Province,China(Grant No.ZR2020QA064)。
The dynamics of C+H_(2)→H+CH reaction is theoretically studied using the quasiclassical trajectory and quantum mechanical wave packet methods.The analysis of reaction probabilities,integral cross sections,and rate co...
关键词:quantum dynamics quasiclassical trajectory method C+H_(2) 
Advanced Techniques for Quantum-State Specific Reaction Dynamics of Gas Phase Metal Atoms
《Chinese Journal of Chemical Physics》2021年第1期61-70,I0011,共11页Ang Xu Yu-jie Ma Dong Yan Fang-fang Li Jia-xing Liu Feng-yan Wang 
The work was supported by the National Natural Science Foundation of China(No.21673047 and No.22073019);the Shanghai Key Laboratory Foundation of Molecular Catalysis and Innovative Materials;the Program for Professor of Special Appointment(Eastern Scholar)at Shanghai Institutions of Higher Learning.
One of the themes of modern molecular reac tion dynamics is to charac terize elementary chemical reactions from“quan tum state to quan tum stat e”,and the study of molecular reaction dynamics in excited states can h...
关键词:Time-sliced ion velocity map imaging Crossed molecular beams Laser ablation Metal atom reaction dynamics STEREODYNAMICS 
Isotopic Effects on Stereodynamics of the C^+ + H_2→CH^+ + H Reaction
《Communications in Theoretical Physics》2017年第5期549-553,共5页郭璐 杨云帆 范晓星 马凤才 李永庆 
Supported by the National Natural Science Foundation of China under Grant Nos.11474141,11274149,11544015;the Program for Liaoning Excellent Talents in University under Grant No.LJQ2015040;the Scientific Research Foundation for the Returned Overseas Chinese Scholars,State Education Ministry(2014-1685)
The effects of isotope substitution on stereodynamic properties for the reactions C^+ + H_2/HD/HT →CH^+ + H/D/T have been studied applying a quasi classical trajectory method occurring on the new ground state CH_2^+ ...
关键词:isotope effect quasi classical trajectory vector correlation stereodynamic ground state CH2+ potential energy surface 
Effects of collision energy and rotational quantum number on stereodynamics of the reactions:H(~2S)+NH(v=0,j=0,2,5,10)→N(~4S)+H_2
《Chinese Physics B》2016年第8期132-139,共8页王伟 于永江 赵刚 杨传路 
supported by the Natural Science Foundation of Shandong Province,China(Grant No.2016ZRB01066);the University Student’s Science and Technology Innovation Fund of Ludong University,China(Grant No.131007)
The stereodynamical properties of H(^2S) + NH(v = 0,j = 0,2,5,10)→N(^4S) + H2 reactions are studied in this paper by using the quasi-classical trajectory(QCT) method with different collision energies on the...
关键词:quasi-classical trajectory method STEREODYNAMICS potential energy surface vector correlation 
Energy and rotation-dependent stereodynamics of H(~2S) + NH(a^1?) → H_2(X^1Σ_g^+) + N(~2D) reaction
《Chinese Physics B》2016年第2期135-142,共8页李永庆 杨云帆 于洋 张永嘉 马凤才 
Project supported by the National Natural Science Foundation of China(Grant Nos.11474141and 11274149);the Program for Liaoning Excellent Talents in University,China(Grant No.LJQ2015040);the Scientific Research Foundation for the Returned Overseas Chinese Scholars,State Education Ministry,China(Grant No.2014-1685);the Special Fund Based Research New Technology of Methanol Conversion and Coal Instead of Oil;the China Postdoctoral Science Foundation(Grant No.2014M550158)
Quasi-classical trajectory calculations are performed to study the stereodynamics of the H(~2S) + NH(a^1?) →H_2(X^1Σ_g~+) + N(~2D) reaction based on the first excited state NH_2(1~2A') potential energ...
关键词:differential cross section STEREODYNAMICS rotational excitation rotational polarization Vector cor- relation 
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 
Stereodynamics Study of Li+HF→LiF+H Reactions on X^2A’ Potential Energy Surface at Collision Energies below 5.00 kcal/mol
《Chinese Physics Letters》2015年第8期52-56,共5页李红征 刘新国 谭瑞山 胡梅 
Supported by the National Natural Science Foundation of China under Grants No 11274205
The product rotational polarizations of reaction Li-SHF→LiF-kH at different collision energies, as well as at the different vibrational states and rotational states, are calculated by using the quasi-classical trajec...
关键词:PES Stereodynamics Study of Li+HF Potential Energy Surface at Collision Energies below 5.00 kcal/mol LiF+H Reactions on X~2A 
Stereodynamics of the reactions: F+H_2/HD/HT→FH+H/D/T
《Chinese Physics B》2015年第5期313-317,共5页迟晓琳 赵金峰 张永嘉 马凤才 李永庆 
supported by the National Natural Science Foundation of China(Grant No.11474141);the Scientific Research Foundation for the Returned Overseas Chinese Scholars(Grant No.2014-1685);the Scientific Research Foundation for the Doctor of Liaoning University;the Special Fund Based Research New Technology of Methanol Conversion and Coal Instead of Oil;the China Postdoctoral Science Foundation(Grant No.2014M550158)
Among many kinds of ways to study the properties of atom and molecule collision, the quasi-classical trajectory (QCT) method is an effective one to investigate the molecular reaction dynamics. QCT calculations have ...
关键词:quasi-calssical trajectory STEREODYNAMICS potential energy surface isotope effect 
Quasi-classical trajectory study of collision energy effect on the stereodynamics of H + Br O → O + HBr reaction
《Chinese Physics B》2015年第4期175-179,共5页解廷献 张莹莹 石英 李泽瑞 金明星 
Project supported by the Science Fund from 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)
Quasi-classical trajectory (QCT) studies on the stereodynamics of H + BrO → O+ HBr reaction have been performed on the X1A' state of ab initio potential energy surface by Peterson [Peterson K A 2000 J. Chem. Phy...
关键词:quasi-classical trajectory STEREODYNAMICS polarization-dependent generalized differential cross sections 
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