메뉴 건너뛰기




Volumn 130, Issue 22, 2009, Pages

Theoretical and kinetic studies of the reactions of CF2 HCFHCF2 H and CF3 CFHCFH2 with hydroxyl radicals

Author keywords

[No Author keywords available]

Indexed keywords

CANONICAL VARIATIONAL TRANSITION-STATE THEORIES; DIRECT DYNAMICS; ENERGY PROFILE; ENTHALPIES OF FORMATION; EXPERIMENTAL DATA; HYDROGEN ABSTRACTION REACTION; HYDROXYL RADICALS; ISODESMIC REACTIONS; ISOMERIC COMPOUNDS; KINETIC STUDY; LOW TEMPERATURES; MINIMUM ENERGY PATHS; OH RADICAL; OPTIMIZED GEOMETRIES; OVERALL REACTIONS; SMALL-CURVATURE TUNNELING; STATIONARY POINTS; TEMPERATURE RANGE;

EID: 67549106931     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3147464     Document Type: Article
Times cited : (10)

References (39)
  • 6
    • 0030568453 scopus 로고    scopus 로고
    • 0022-3654,. 10.1021/jp953216+
    • W. B. DeMore, J. Phys. Chem. 0022-3654 100, 5813 (1996). 10.1021/jp953216+
    • (1996) J. Phys. Chem. , vol.100 , pp. 5813
    • Demore, W.B.1
  • 12
    • 0029713761 scopus 로고    scopus 로고
    • 0002-7863,. 10.1021/ja952464g
    • W. P. Hu and D. G. Truhlar, J. Am. Chem. Soc. 0002-7863 118, 860 (1996). 10.1021/ja952464g
    • (1996) J. Am. Chem. Soc. , vol.118 , pp. 860
    • Hu, W.P.1    Truhlar, D.G.2
  • 13
    • 67549113428 scopus 로고    scopus 로고
    • IUPAC.
    • IUPAC, http://www.iupac.org/reports/1999/7110minkin/i.html.
  • 14
    • 67549114095 scopus 로고    scopus 로고
    • GAUSSIAN 03, Revision A.1, Gaussian Inc., Pittsburgh, PA.
    • M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Revision A.1, Gaussian Inc., Pittsburgh, PA, 2003.
    • (2003)
    • Frisch, M.J.1    Trucks, G.W.2    Schlegel, H.B.3
  • 15
    • 4243553426 scopus 로고
    • 1050-2947,. 10.1103/PhysRevA.38.3098
    • A. D. Becke, Phys. Rev. A 1050-2947 38, 3098 (1988). 10.1103/PhysRevA.38. 3098
    • (1988) Phys. Rev. A , vol.38 , pp. 3098
    • Becke, A.D.1
  • 16
    • 11144255959 scopus 로고    scopus 로고
    • 0021-9606,. 10.1063/1.470829
    • A. D. Becke, J. Chem. Phys. 0021-9606 104, 1040 (1996). 10.1063/1.470829
    • (1996) J. Chem. Phys. , vol.104 , pp. 1040
    • Becke, A.D.1
  • 20
    • 67549103477 scopus 로고    scopus 로고
    • POLYRATE, version 9.3.1, University of Minnesota: Minneapolis.
    • J. C. Corchado, Y. -Y. Chuang, P. L. Fast, POLYRATE, version 9.3.1, University of Minnesota: Minneapolis, 2005.
    • (2005)
    • Corchado, J.C.1    Chuang, Y.-Y.2    Fast, P.L.3
  • 22
  • 24
    • 0000651090 scopus 로고
    • 0066-426X,. 10.1146/annurev.pc.35.100184.001111
    • D. G. Truhlar and B. C. Garrett, Annu. Rev. Phys. Chem. 0066-426X 35, 159 (1984). 10.1146/annurev.pc.35.100184.001111
    • (1984) Annu. Rev. Phys. Chem. , vol.35 , pp. 159
    • Truhlar, D.G.1    Garrett, B.C.2
  • 30
    • 67549126231 scopus 로고    scopus 로고
    • See EPAPS Document No. E-JCPSA6-130-011923 for frequencies of the stationary points; rate constants; scanned energy profiles;. VMEP, VaG, and ZPE curves; and TST, ICVT and ICVT/SCT curves. For more information on EPAPS, see.
    • See EPAPS Document No. E-JCPSA6-130-011923 for frequencies of the stationary points; rate constants; scanned energy profiles;. VMEP, VaG, and ZPE curves; and TST, ICVT and ICVT/SCT curves. For more information on EPAPS, see http://www.aip.org/pubservs/epaps.html.
  • 32
    • 34447633970 scopus 로고    scopus 로고
    • 1439-4235,. 10.1002/cphc.200700115
    • A. Mansergas and J. M. Anglada, ChemPhysChem 1439-4235 8, 1534 (2007). 10.1002/cphc.200700115
    • (2007) ChemPhysChem , vol.8 , pp. 1534
    • Mansergas, A.1    Anglada, J.M.2
  • 35
    • 67549096180 scopus 로고
    • Tables of Molecular Vibrational Frequencies Consolidated, Natl. Bur. Stand. (U.S.) (U.S. GPO, Washington, D.C.), Vol..
    • T. Shimanouchi, Tables of Molecular Vibrational Frequencies Consolidated, Natl. Bur. Stand. (U.S.) (U.S. GPO, Washington, D.C., 1972), Vol. 1.
    • (1972) , vol.1
    • Shimanouchi, T.1
  • 36
    • 67549126230 scopus 로고    scopus 로고
    • NIST Chemistry Webbook, edited by P. J. Linstrom and W. G. Mallard, available from NIST Standard Reference Database Number 69.
    • NIST Chemistry Webbook, edited by, P. J. Linstrom, and, W. G. Mallard, available from NIST Standard Reference Database Number 69, http://webbook.Nist. Gov/chemistry.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.