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Volumn 133, Issue 16, 2010, Pages

Quasiclassical trajectory study of the postquenching dynamics of OH A 2 + by H2/D2 on a global potential energy surface

Author keywords

[No Author keywords available]

Indexed keywords

ADIABATIC POTENTIAL ENERGY SURFACE; BRANCHING RATIO; CLASSICAL TRAJECTORIES; CONICAL INTERSECTION; DIABATIC; ELECTRONIC ENERGIES; GLOBAL POTENTIAL ENERGY SURFACES; PERMUTATIONALLY INVARIANT; POST QUENCHING; QUASICLASSICAL TRAJECTORIES; ROVIBRATIONAL DISTRIBUTIONS; ROVIBRATIONAL STATE; TRANSLATIONAL ENERGY DISTRIBUTIONS; VIBRATIONAL STATE DISTRIBUTIONS;

EID: 78149371509     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3488167     Document Type: Article
Times cited : (49)

References (40)
  • 1
    • 0030495574 scopus 로고    scopus 로고
    • RMPHAT 0034-6861, 10.1103/RevModPhys.68.985
    • D. R. Yarkony, Rev. Mod. Phys. RMPHAT 0034-6861 68, 985 (1996). 10.1103/RevModPhys.68.985
    • (1996) Rev. Mod. Phys. , vol.68 , pp. 985
    • Yarkony, D.R.1
  • 2
    • 3342939360 scopus 로고    scopus 로고
    • ARPLAP 0066-426X, 10.1146/annurev.physchem.55.091602.094335
    • G. A. Worth and L. S. Cederbaum, Annu. Rev. Phys. Chem. ARPLAP 0066-426X 55, 127 (2004). 10.1146/annurev.physchem.55.091602.094335
    • (2004) Annu. Rev. Phys. Chem. , vol.55 , pp. 127
    • Worth, G.A.1    Cederbaum, L.S.2
  • 3
    • 34248189488 scopus 로고    scopus 로고
    • Isomerization through conical intersections
    • DOI 10.1146/annurev.physchem.57.032905.104612
    • B. G. Levine and T. J. Martínez, Annu. Rev. Phys. Chem. ARPLAP 0066-426X 58, 613 (2007). 10.1146/annurev.physchem.57.032905.104612 (Pubitemid 46877603)
    • (2007) Annual Review of Physical Chemistry , vol.58 , pp. 613-634
    • Levine, B.G.1    Martinez, T.J.2
  • 4
  • 5
    • 0035878990 scopus 로고    scopus 로고
    • Comparison of full multiple spawning, trajectory surface hopping, and converged quantum mechanics for electronically nonadiabatic dynamics
    • DOI 10.1063/1.1377030
    • M. D. Hack, A. M. Wensmann, D. G. Truhlar, M. Ben-Nun, and T. J. Martinez, J. Chem. Phys. JCPSA6 0021-9606 115, 1172 (2001). 10.1063/1.1377030 (Pubitemid 32699305)
    • (2001) Journal of Chemical Physics , vol.115 , Issue.3 , pp. 1172-1186
    • Hack, M.D.1    Wensmann, A.M.2    Truhlar, D.G.3    Ben-Nun, M.4    Martinez, T.J.5
  • 6
    • 77749275588 scopus 로고    scopus 로고
    • JCPSA6 0021-9606, 10.1063/1.3290946
    • Z. Sun, D. H. Zhang, and M. H. Alexander, J. Chem. Phys. JCPSA6 0021-9606 132, 034308 (2010). 10.1063/1.3290946
    • (2010) J. Chem. Phys. , vol.132 , pp. 034308
    • Sun, Z.1    Zhang, D.H.2    Alexander, M.H.3
  • 7
    • 33745043523 scopus 로고    scopus 로고
    • IRPCDL 0144-235X, 10.1080/01442350600677929
    • T. S. Chu, Y. Zhang, and K. L. Han, Int. Rev. Phys. Chem. IRPCDL 0144-235X 25, 201 (2006). 10.1080/01442350600677929
    • (2006) Int. Rev. Phys. Chem. , vol.25 , pp. 201
    • Chu, T.S.1    Zhang, Y.2    Han, K.L.3
  • 10
    • 0035829951 scopus 로고    scopus 로고
    • + in collisions with molecular deuterium via nonadiabatic passage through a conical intersection
    • DOI 10.1021/jp012674h
    • M. W. Todd, D. T. Anderson, and M. I. Lester, J. Phys. Chem. A JPCAFH 1089-5639 105, 10031 (2001). 10.1021/jp012674h (Pubitemid 35373237)
    • (2001) Journal of Physical Chemistry A , vol.105 , Issue.44 , pp. 10031-10036
    • Todd, M.W.1    Anderson, D.T.2    Lester, M.I.3
  • 13
    • 39349100523 scopus 로고    scopus 로고
    • Product branching between reactive and nonreactive pathways in the collisional quenching of OH A -+2 radicals by H2
    • DOI 10.1063/1.2800316
    • L. P. Dempsey, P. A. Cleary, C. Murray, and M. I. Lester, J. Chem. Phys. JCPSA6 0021-9606 127, 151101 (2007). 10.1063/1.2800316 (Pubitemid 351260735)
    • (2007) Journal of Chemical Physics , vol.127 , Issue.15 , pp. 151101
    • Dempsey, L.P.1    Murray, C.2    Lester, M.I.3
  • 17
    • 2742560987 scopus 로고    scopus 로고
    • JPCHAX 0022-3654, 10.1021/jp962134y
    • D. R. Yarkony, J. Phys. Chem. JPCHAX 0022-3654 100, 18612 (1996). 10.1021/jp962134y
    • (1996) J. Phys. Chem. , vol.100 , pp. 18612
    • Yarkony, D.R.1
  • 18
    • 0000065047 scopus 로고    scopus 로고
    • JCPSA6 0021-9606, 10.1063/1.479966
    • D. R. Yarkony, J. Chem. Phys. JCPSA6 0021-9606 111, 6661 (1999). 10.1063/1.479966
    • (1999) J. Chem. Phys. , vol.111 , pp. 6661
    • Yarkony, D.R.1
  • 19
    • 0034511061 scopus 로고    scopus 로고
    • +) by molecular hydrogen
    • DOI 10.1063/1.1322074
    • B. C. Hoffman and D. R. Yarkony, J. Chem. Phys. JCPSA6 0021-9606 113, 10091 (2000). 10.1063/1.1322074 (Pubitemid 32076904)
    • (2000) Journal of Chemical Physics , vol.113 , Issue.22 , pp. 10091-10099
    • Hoffman, B.C.1    Yarkony, D.R.2
  • 21
    • 77949357465 scopus 로고    scopus 로고
    • JCPSA6 0021-9606, 10.1063/1.3336402
    • E. Kamarchik, Bina Fu, and J. M. Bowmana, J. Chem. Phys. JCPSA6 0021-9606 132, 091102 (2010). 10.1063/1.3336402
    • (2010) J. Chem. Phys. , vol.132 , pp. 091102
    • Kamarchik, E.1    Fu, B.2    Bowmana, J.M.3
  • 25
    • 36348975051 scopus 로고    scopus 로고
    • Ab initio molecular dynamics of excited-state intramolecular proton transfer using multireference perturbation theory
    • DOI 10.1021/jp072027b
    • J. D. Coe, B. G. Levine, and T. J. Martínez, J. Phys. Chem. A JPCAFH 1089-5639 111, 11302 (2007). 10.1021/jp072027b (Pubitemid 350149923)
    • (2007) Journal of Physical Chemistry A , vol.111 , Issue.44 , pp. 11302-11310
    • Coe, J.D.1    Levine, B.G.2    Martinez, T.J.3
  • 27
    • 0001031742 scopus 로고    scopus 로고
    • MOPHAM 0026-8976.
    • H. -J. Werner, Mol. Phys. MOPHAM 0026-8976 89, 645 (1996).
    • (1996) Mol. Phys. , vol.89 , pp. 645
    • Werner, H.-J.1
  • 28
    • 33746614482 scopus 로고
    • JCPSA6 0021-9606, 10.1063/1.456153
    • T. H. Dunning, Jr., J. Chem. Phys. JCPSA6 0021-9606 90, 1007 (1989). 10.1063/1.456153
    • (1989) J. Chem. Phys. , vol.90 , pp. 1007
    • Dunning, Jr.T.H.1
  • 29
  • 30
    • 0037780883 scopus 로고
    • JCPSA6 0021-9606, 10.1063/1.448627
    • H. -J. Werner and P. J. Knowles, J. Chem. Phys. JCPSA6 0021-9606 82, 5053 (1985). 10.1063/1.448627
    • (1985) J. Chem. Phys. , vol.82 , pp. 5053
    • Werner, H.-J.1    Knowles, P.J.2
  • 31
    • 24444434383 scopus 로고
    • JCPSA6 0021-9606, 10.1063/1.455556
    • H. -J. Werner and P. J. Knowles, J. Chem. Phys. JCPSA6 0021-9606 89, 5803 (1988). 10.1063/1.455556
    • (1988) J. Chem. Phys. , vol.89 , pp. 5803
    • Werner, H.-J.1    Knowles, P.J.2
  • 32
    • 78149377008 scopus 로고    scopus 로고
    • MOLPRO, Version 2008.1, a package of ab initio programs.
    • H. -J. Werner, P. J. Knowles, R. D. Amos, MOLPRO, Version 2008.1, a package of ab initio programs.
    • Werner, H.-J.1    Knowles, P.J.2    Amos, R.D.3
  • 34
    • 72449129392 scopus 로고    scopus 로고
    • IRPCDL 0144-235X, 10.1080/01442350903234923
    • B. J. Braams and J. M. Bowman, Int. Rev. Phys. Chem. IRPCDL 0144-235X 28, 577 (2009). 10.1080/01442350903234923
    • (2009) Int. Rev. Phys. Chem. , vol.28 , pp. 577
    • Braams, B.J.1    Bowman, J.M.2
  • 36
    • 78149397145 scopus 로고    scopus 로고
    • in NIST Chemistry WebBook.
    • K. P. Huber and G. Herzberg, in NIST Chemistry WebBook, http://webbook.nist.gov.
    • Huber, K.P.1    Herzberg, G.2
  • 38
    • 73649141314 scopus 로고    scopus 로고
    • JCPSA6 0021-9606, 10.1063/1.3276633
    • G. Czakó and J. M. Bowman, J. Chem. Phys. JCPSA6 0021-9606 131, 244302 (2009). 10.1063/1.3276633
    • (2009) J. Chem. Phys. , vol.131 , pp. 244302
    • Czakó, G.1    Bowman, J.M.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.