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...
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...
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...
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^+ ...
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...
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...
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-...
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...
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 ...
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...