메뉴 건너뛰기




Volumn , Issue , 2008, Pages 175-229

Theory of low temperature gas-phase reactions

Author keywords

[No Author keywords available]

Indexed keywords

PHASE INTERFACES; TEMPERATURE;

EID: 84967369322     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1142/9781848162105_0004     Document Type: Chapter
Times cited : (11)

References (163)
  • 1
    • 0034072164 scopus 로고    scopus 로고
    • Reaction kinetics at very low temperatures: Laboratory studies and interstellar chemistry
    • Smith IWM, Rowe BR. (2000) Reaction kinetics at very low temperatures: Laboratory studies and interstellar chemistry. Acc. Chem,. Res. 33: 261-268.
    • (2000) Acc. Chem,. Res , vol.33 , pp. 261-268
    • Smith, I.W.M.1    Rowe, B.R.2
  • 2
    • 33746216357 scopus 로고    scopus 로고
    • Reactions at very low temperatures: Gas kinetics at a new frontier
    • Smith IWM. (2006) Reactions at very low temperatures: Gas kinetics at a new frontier. Angew. Chem. Int. Ed. 45: 2842-2861.
    • (2006) Angew. Chem. Int. Ed , vol.45 , pp. 2842-2861
    • Smith, I.W.M.1
  • 4
    • 21444436323 scopus 로고    scopus 로고
    • Long-range transition state theory
    • 1-15
    • Georgievskii Y, Klippenstein SJ. (2005) Long-range transition state theory. J. Chem. Phys. 122: 194103; 1-15.
    • (2005) J. Chem. Phys , vol.122 , pp. 194103
    • Georgievskii, Y.1    Klippenstein, S.J.2
  • 5
    • 0031082458 scopus 로고    scopus 로고
    • 2 at interstellar temperatures
    • 2 at interstellar temperatures. Astro. J. 477: 204-208.
    • (1997) Astro. J , vol.477 , pp. 204-208
    • Woon, D.E.1    Herbst, E.2
  • 6
    • 0000808155 scopus 로고
    • + O2 reaction employing ab-initio determined properties for the transition state
    • + O2 reaction employing ab-initio determined properties for the transition state. J. Chem. Phys. 99: 5790-5799.
    • (1993) J. Chem. Phys , vol.99 , pp. 5790-5799
    • Klippenstein, S.J.1    Kim, Y.W.2
  • 10
    • 0002010422 scopus 로고
    • Fast chemical reactions: Theory challenges experiment
    • Clary DC. (1990) Fast chemical reactions: Theory challenges experiment. Ann. Rev. Phys. Chem. 41: 61-90.
    • (1990) Ann. Rev. Phys. Chem , vol.41 , pp. 61-90
    • Clary, D.C.1
  • 11
    • 21944441684 scopus 로고    scopus 로고
    • Recent advances in statistical adiabatic channel calculations of state specific dissociation dynamics
    • Troe J. (1997) Recent advances in statistical adiabatic channel calculations of state specific dissociation dynamics. Adv. Chem. Phys. 101: 819-851.
    • (1997) Adv. Chem. Phys , vol.101 , pp. 819-851
    • Troe, J.1
  • 12
    • 36849117906 scopus 로고
    • On detailed balancing and statistical theories of chemical kinetics
    • Pechukas P, Light JC. (1965) On detailed balancing and statistical theories of chemical kinetics. J. Chem. Phys. 42: 3281-3291
    • (1965) J. Chem. Phys , vol.42 , pp. 3281-3291
    • Pechukas, P.1    Light, J.C.2
  • 13
    • 36849102028 scopus 로고
    • Statistical theory of chemical kinetics: Application to neutral-atom2-molecule reactions
    • Pechukas P, Rankin R, Light JC. (1966) Statistical theory of chemical kinetics: Application to neutral-atom2-molecule reactions. J. Chem. Phys. 44: 794-805
    • (1966) J. Chem. Phys , vol.44 , pp. 794-805
    • Pechukas, P.1    Rankin, R.2    Light, J.C.3
  • 14
    • 0001989225 scopus 로고
    • Statistical theory of bimolecular exchange reactions
    • Light JC. (1967) Statistical theory of bimolecular exchange reactions. Faraday Discuss Chem. Soc. 44: 14-29.
    • (1967) Faraday Discuss Chem. Soc , vol.44 , pp. 14-29
    • Light, J.C.1
  • 17
    • 30844453751 scopus 로고
    • Reactions of gaseous molecule ions with gaseous molecules. V. Theory
    • Gioumousis G, Stevenson DP. (1958) Reactions of gaseous molecule ions with gaseous molecules. V. Theory. J. Chem. Phys. 29: 294-299.
    • (1958) J. Chem. Phys , vol.29 , pp. 294-299
    • Gioumousis, G.1    Stevenson, D.P.2
  • 18
    • 0039713813 scopus 로고
    • Theory of ion-molecule collisions. Effect of anisotropy in polarizability on collision rate constant
    • Bass L, Su T, Bowers MT. (1978) Theory of ion-molecule collisions. Effect of anisotropy in polarizability on collision rate constant. Int. J. Mass Spec. Ion Proc. 28: 389-399.
    • (1978) Int. J. Mass Spec. Ion Proc , vol.28 , pp. 389-399
    • Bass, L.1    Su, T.2    Bowers, M.T.3
  • 19
    • 49349126726 scopus 로고
    • Orientation-dependent forces in ion-molecule reactions. Effect of anisotropic molecular polarizability on ion-molecule reaction-rates
    • Clair R, McMahon TB. (1978) Orientation-dependent forces in ion-molecule reactions. Effect of anisotropic molecular polarizability on ion-molecule reaction-rates. Int. J. Mass Spec. Ion Proc. 28: 365-375.
    • (1978) Int. J. Mass Spec. Ion Proc , vol.28 , pp. 365-375
    • Clair, R.1    McMahon, T.B.2
  • 21
    • 0348240185 scopus 로고
    • Photolysis of aldehydes and ketones in the presence of iodine vapor
    • Gorin E. (1939) Photolysis of aldehydes and ketones in the presence of iodine vapor. J. Chem. Phys. 7: 256-264.
    • (1939) J. Chem. Phys , vol.7 , pp. 256-264
    • Gorin, E.1
  • 22
    • 33646900208 scopus 로고    scopus 로고
    • Quantum and classical calculations of adiabatic and non-adiabatic capture rates for anisotropic interactions
    • Nikitin EE, Troe J. (1997) Quantum and classical calculations of adiabatic and non-adiabatic capture rates for anisotropic interactions. Ber. Bunsenges. Phys. Chem. 101: 445-458.
    • (1997) Ber. Bunsenges. Phys. Chem , vol.101 , pp. 445-458
    • Nikitin, E.E.1    Troe, J.2
  • 23
    • 0001714457 scopus 로고
    • Molecular-models for recombination and disproportionation of radicals
    • Benson SW. (1983) Molecular-models for recombination and disproportionation of radicals. Can. J. Chem. 61: 881-887.
    • (1983) Can. J. Chem , vol.61 , pp. 881-887
    • Benson, S.W.1
  • 24
  • 25
    • 0001623018 scopus 로고
    • Collisions in a non-central field. Variational and trajectory investigation of ion-dipole capture
    • Chesnavich WJ, Su T, Bowers MT. (1980) Collisions in a non-central field. Variational and trajectory investigation of ion-dipole capture. J. Chem. Phys. 72: 2641-2655.
    • (1980) J. Chem. Phys , vol.72 , pp. 2641-2655
    • Chesnavich, W.J.1    Su, T.2    Bowers, M.T.3
  • 26
    • 36849106201 scopus 로고
    • Theory of ion-polar molecule collisions. Comparisons with experimental charge transfer reactions of rare gas ions to geometric isomers of difluorobenzene and dichloroethylene
    • Su T, Bowers MT. (1973) Theory of ion-polar molecule collisions. Comparisons with experimental charge transfer reactions of rare gas ions to geometric isomers of difluorobenzene and dichloroethylene. J. Chem. Phys. 58: 3027-3037.
    • (1973) J. Chem. Phys , vol.58 , pp. 3027-3037
    • Su, T.1    Bowers, M.T.2
  • 27
    • 0000007109 scopus 로고
    • Extended Langevin model for rate constant calculations of exothermic atom-diatom reactions. Application to O + OH
    • Davidsson J, Nyman G. (1988) Extended Langevin model for rate constant calculations of exothermic atom-diatom reactions. Application to O + OH. Chem. Phys. 125: 171-183.
    • (1988) Chem. Phys , vol.125 , pp. 171-183
    • Davidsson, J.1    Nyman, G.2
  • 28
    • 0008838891 scopus 로고
    • On statistical and thermodynamic approaches to ion polar molecule collisions
    • Celli F, Weddle G, Ridge DP. (1980) On statistical and thermodynamic approaches to ion polar molecule collisions. J. Chem. Phys. 73: 801-812.
    • (1980) J. Chem. Phys , vol.73 , pp. 801-812
    • Celli, F.1    Weddle, G.2    Ridge, D.P.3
  • 29
    • 0040445751 scopus 로고
    • Simple estimation of thermal capture rates for ion-dipole collisions by canonical effective potential methods
    • Markovic N, Nordholm S. (1989) Simple estimation of thermal capture rates for ion-dipole collisions by canonical effective potential methods. Chem. Phys. 135: 109-122.
    • (1989) Chem. Phys , vol.135 , pp. 109-122
    • Markovic, N.1    Nordholm, S.2
  • 30
    • 34548419793 scopus 로고    scopus 로고
    • Mean potential phase space theory of chemical reactions
    • 1-4
    • Larregaray P, Bonnet L, Rayez JC. (2007) Mean potential phase space theory of chemical reactions. J. Chem. Phys. 127: 084308; 1-4.
    • (2007) J. Chem. Phys , vol.127 , pp. 084308
    • Larregaray, P.1    Bonnet, L.2    Rayez, J.C.3
  • 31
    • 11644302921 scopus 로고
    • Implementation and limitations of the transition state theory for ion molecule systems with non-spherical dividing surfaces
    • Turulski J, Niedzielski J. (1988) Implementation and limitations of the transition state theory for ion molecule systems with non-spherical dividing surfaces. J. Chem. Soc. Faraday Trans. 84: 347-361.
    • (1988) J. Chem. Soc. Faraday Trans , vol.84 , pp. 347-361
    • Turulski, J.1    Niedzielski, J.2
  • 32
    • 21844483080 scopus 로고
    • The capture rate of an ion by a symmetrical top quadrupole
    • Turulski J, Niedzielski J, Pezler B. (1995) The capture rate of an ion by a symmetrical top quadrupole. Chem. Phys. 192: 319-323.
    • (1995) Chem. Phys , vol.192 , pp. 319-323
    • Turulski, J.1    Niedzielski, J.2    Pezler, B.3
  • 33
    • 0000352582 scopus 로고
    • Statistical modeling of ion-molecule electrostatic capture
    • Smith SC, Troe J. (1992) Statistical modeling of ion-molecule electrostatic capture. J. Chem. Phys. 97: 5451-5464.
    • (1992) J. Chem. Phys , vol.97 , pp. 5451-5464
    • Smith, S.C.1    Troe, J.2
  • 35
    • 33748576419 scopus 로고
    • On the statistical theory of unimolecular processes
    • Wardlaw DM, Marcus RA. (1988) On the statistical theory of unimolecular processes. Adv. Chem. Phys. 70: 231-263.
    • (1988) Adv. Chem. Phys , vol.70 , pp. 231-263
    • Wardlaw, D.M.1    Marcus, R.A.2
  • 36
    • 36549091598 scopus 로고
    • Trajectory calculations of ion-polar molecule capture rate constants at low-temperatures
    • 89: 5355-5355
    • Su T. (1988) Trajectory calculations of ion-polar molecule capture rate constants at low-temperatures. J. Chem. Phys. 88: 4102-4103; 89: 5355-5355.
    • (1988) J. Chem. Phys , vol.88 , pp. 4102-4103
    • Su, T.1
  • 37
    • 0008860556 scopus 로고
    • Parametrization of the trajectory calculations on the ion-quadrupolar molecule collision rate constants
    • Bhowmik PK, Su, T. (1991) Parametrization of the trajectory calculations on the ion-quadrupolar molecule collision rate constants. J. Chem. Phys. 94: 6444-6445.
    • (1991) J. Chem. Phys , vol.94 , pp. 6444-6445
    • Bhowmik, P.K.1    Su, T.2
  • 38
    • 0000847511 scopus 로고    scopus 로고
    • Classical trajectory and adiabatic channel study of the transition from adiabatic to sudden capture dynamics. I. Ion-dipole capture
    • Maergoiz AI, Nikitin EE, Troe J, Ushakov VG. (1996) Classical trajectory and adiabatic channel study of the transition from adiabatic to sudden capture dynamics. I. Ion-dipole capture. J. Chem. Phys. 105: 6263-6269.
    • (1996) J. Chem. Phys , vol.105 , pp. 6263-6269
    • Maergoiz, A.I.1    Nikitin, E.E.2    Troe, J.3    Ushakov, V.G.4
  • 39
    • 0000027052 scopus 로고    scopus 로고
    • Classical trajectory and adiabatic channel study of the transition from adiabatic to sudden capture dynamics. II. Ion-quadrupole capture
    • Maergoiz AI, Nikitin EE, Troe J, Ushakov VG. (1996) Classical trajectory and adiabatic channel study of the transition from adiabatic to sudden capture dynamics. II. Ion-quadrupole capture. J. Chem. Phys. 105: 6270-6276.
    • (1996) J. Chem. Phys , vol.105 , pp. 6270-6276
    • Maergoiz, A.I.1    Nikitin, E.E.2    Troe, J.3    Ushakov, V.G.4
  • 40
    • 0000064148 scopus 로고    scopus 로고
    • Classical trajectory and adiabatic channel study of the transition from adiabatic to sudden capture dynamics. III. Dipole-dipole capture
    • Maergoiz AI, Nikitin EE, Troe J, Ushakov VG. (1996) Classical trajectory and adiabatic channel study of the transition from adiabatic to sudden capture dynamics. III. Dipole-dipole capture. J. Chem. Phys. 105: 6277- 6284.
    • (1996) J. Chem. Phys , vol.105 , pp. 6277-6284
    • Maergoiz, A.I.1    Nikitin, E.E.2    Troe, J.3    Ushakov, V.G.4
  • 41
    • 0001159707 scopus 로고    scopus 로고
    • Classical trajectory and statistical adiabatic channel study of the dynamics of capture and unimolecular bond fission. IV. Valence interactions between atoms and linear rotors
    • Maergoiz AI, Nikitin EE, Troe J, Ushakov VG. (1998) Classical trajectory and statistical adiabatic channel study of the dynamics of capture and unimolecular bond fission. IV. Valence interactions between atoms and linear rotors. J. Chem. Phys. 108: 5265-5280.
    • (1998) J. Chem. Phys , vol.108 , pp. 5265-5280
    • Maergoiz, A.I.1    Nikitin, E.E.2    Troe, J.3    Ushakov, V.G.4
  • 42
    • 0001205846 scopus 로고    scopus 로고
    • Classical trajectory and statistical adiabatic channel study of the dynamics of capture and unimolecular bond fission. V. Valence interactions between two linear rotors
    • Maergoiz AI, Nikitin EE, Troe J, Ushakov VG. (1998) Classical trajectory and statistical adiabatic channel study of the dynamics of capture and unimolecular bond fission. V. Valence interactions between two linear rotors. J. Chem. Phys. 108: 9987-9998.
    • (1998) J. Chem. Phys , vol.108 , pp. 9987-9998
    • Maergoiz, A.I.1    Nikitin, E.E.2    Troe, J.3    Ushakov, V.G.4
  • 43
    • 0000472904 scopus 로고
    • Complex formation in reactive and inelastic scattering. Statistical adiabatic channel model of unimolecular processes. III
    • Quack M, Troe J. (1975) Complex formation in reactive and inelastic scattering. Statistical adiabatic channel model of unimolecular processes. III. Ber. Bunsenges. Phys. Chem. 79: 170-183.
    • (1975) Ber. Bunsenges. Phys. Chem , vol.79 , pp. 170-183
    • Quack, M.1    Troe, J.2
  • 44
    • 0642288734 scopus 로고
    • Generalized transition state theory. Quantum effects for collinear reactions of hydrogen molecules and isotopically substituted hydrogen molecules
    • Garrett BC, Truhlar DG. (1979) Generalized transition state theory. Quantum effects for collinear reactions of hydrogen molecules and isotopically substituted hydrogen molecules. J. Phys. Chem. 83: 1052-1079.
    • (1979) J. Phys. Chem , vol.83 , pp. 1052-1079
    • Garrett, B.C.1    Truhlar, D.G.2
  • 45
    • 0002216056 scopus 로고
    • Rates of chemical reactions dominated by long-range intermolecular forces
    • Clary DC. (1984) Rates of chemical reactions dominated by long-range intermolecular forces. Mol. Phys. 53: 3-21.
    • (1984) Mol. Phys , vol.53 , pp. 3-21
    • Clary, D.C.1
  • 47
    • 33751392490 scopus 로고
    • Fast reactions between diatomic and polyatomic molecules
    • Stoecklin T, Clary DC. (1992) Fast reactions between diatomic and polyatomic molecules. J. Phys. Chem. 96: 7346-7351.
    • (1992) J. Phys. Chem , vol.96 , pp. 7346-7351
    • Stoecklin, T.1    Clary, D.C.2
  • 48
    • 0002013738 scopus 로고
    • Fast reactions between a linear molecule and a polar symmetrical top
    • Stoecklin T, Clary DC. (1995) Fast reactions between a linear molecule and a polar symmetrical top. Theochem. J. Mol. Struc. 341: 53-61.
    • (1995) Theochem. J. Mol. Struc , vol.341 , pp. 53-61
    • Stoecklin, T.1    Clary, D.C.2
  • 49
    • 2942647258 scopus 로고
    • Chemical reactions dominated by long-range intermolecular forces
    • Clary DC, Henshaw JP. (1987) Chemical reactions dominated by long-range intermolecular forces. Faraday Disc. 84: 333-349.
    • (1987) Faraday Disc , vol.84 , pp. 333-349
    • Clary, D.C.1    Henshaw, J.P.2
  • 50
    • 0039786811 scopus 로고
    • Rate constants for the reactions of ions with dipolar polyatomic molecules
    • Clary DC. (1987) Rate constants for the reactions of ions with dipolar polyatomic molecules. J. Che. Soc. Faraday Trans. II, 83: 139-148.
    • (1987) J. Che. Soc. Faraday Trans. II , vol.83 , pp. 139-148
    • Clary, D.C.1
  • 51
    • 0001082938 scopus 로고
    • Temperature dependence of rate coefficients for reactions of ions with dipolar molecules
    • Clary DC, Smith D, Adams NG. (1985) Temperature dependence of rate coefficients for reactions of ions with dipolar molecules. Chem. Phys. Lett. 119: 320-326.
    • (1985) Chem. Phys. Lett , vol.119 , pp. 320-326
    • Clary, D.C.1    Smith, D.2    Adams, N.G.3
  • 52
    • 0008130038 scopus 로고
    • Rates for the reactions of open-shell ions with molecules
    • Clary DC, Dateo CE, Smith D. (1990) Rates for the reactions of open-shell ions with molecules. Chem. Phys. Lett. 167: 1-6.
    • (1990) Chem. Phys. Lett , vol.167 , pp. 1-6
    • Clary, D.C.1    Dateo, C.E.2    Smith, D.3
  • 53
    • 0040655569 scopus 로고    scopus 로고
    • Calculations of rate constants for reactions of first and second row cations
    • Gonzalez AI, Clary DC. Yanez, M. (1997) Calculations of rate constants for reactions of first and second row cations. Theor. Chem. Acc. 98: 33-41.
    • (1997) Theor. Chem. Acc , vol.98 , pp. 33-41
    • Gonzalez, A.I.1    Clary, D.C.2    Yanez, M.3
  • 56
    • 37049072031 scopus 로고
    • Rate constants for chemicalreactions of radicals at low-temperatures
    • Clary DC, Stoecklin TS, Wickham AG. (1993) Rate constants for chemicalreactions of radicals at low-temperatures. J. Chem. Soc. Faraday Trans. 89: 2185-2191.
    • (1993) J. Chem. Soc. Faraday Trans , vol.89 , pp. 2185-2191
    • Clary, D.C.1    Stoecklin, T.S.2    Wickham, A.G.3
  • 57
    • 0000571519 scopus 로고    scopus 로고
    • 3P state and a linear molecule in a Π or Σ state at very low temperature
    • 3P state and a linear molecule in a Π or Σ state at very low temperature. Chem. Phys. Lett. 303: 576-582.
    • (1999) Chem. Phys. Lett , vol.303 , pp. 576-582
    • Reignier, D.1    Stoecklin, T.2
  • 58
    • 0000920639 scopus 로고
    • Quantum calculations on the rate constant for the O + OH reaction
    • Clary DC, Werner HJ. (1984) Quantum calculations on the rate constant for the O + OH reaction. Chem. Phys. Lett. 112: 346-350.
    • (1984) Chem. Phys. Lett , vol.112 , pp. 346-350
    • Clary, D.C.1    Werner, H.J.2
  • 59
    • 36549092105 scopus 로고
    • Statistical adiabatic channel model for ion-molecule capture processes
    • Troe J. (1987) Statistical adiabatic channel model for ion-molecule capture processes. J. Chem. Phys. 87: 2773-2780.
    • (1987) J. Chem. Phys , vol.87 , pp. 2773-2780
    • Troe, J.1
  • 60
    • 0001283391 scopus 로고
    • Adiabatic channel potential curves for two linear dipole rotors. I. Classification of states and numerical calculations for identical rotors
    • Maergoiz AI, Nikitin EE, Troe J. (1991) Adiabatic channel potential curves for two linear dipole rotors. I. Classification of states and numerical calculations for identical rotors. J. Chem. Phys. 95: 5117-5127.
    • (1991) J. Chem. Phys , vol.95 , pp. 5117-5127
    • Maergoiz, A.I.1    Nikitin, E.E.2    Troe, J.3
  • 61
    • 36449007131 scopus 로고
    • Adiabatic capture models for fast chemical reactions
    • Ramillon M, McCarroll R. (1994) Adiabatic capture models for fast chemical reactions. J. Chem. Phys. 101: 8697-8699.
    • (1994) J. Chem. Phys , vol.101 , pp. 8697-8699
    • Ramillon, M.1    McCarroll, R.2
  • 62
    • 0039046312 scopus 로고
    • Perturbed rotational state method for collisions between an ion and an asymmetric-top rigid rotor
    • Sakimoto K. (1982) Perturbed rotational state method for collisions between an ion and an asymmetric-top rigid rotor. Chem. Phys. 68: 155-170.
    • (1982) Chem. Phys , vol.68 , pp. 155-170
    • Sakimoto, K.1
  • 63
    • 0039786808 scopus 로고
    • Adiabatic invariance treatment of hitting collisions between ions and symmetrical top dipolar molecules
    • Bates DR, Morgan WL. (1987) Adiabatic invariance treatment of hitting collisions between ions and symmetrical top dipolar molecules. J. Chem. Phys. 87: 2611-2616.
    • (1987) J. Chem. Phys , vol.87 , pp. 2611-2616
    • Bates, D.R.1    Morgan, W.L.2
  • 64
    • 0010394889 scopus 로고
    • Statistical adiabatic channel calculation of accurate low-temperature rate constants for the recombination of OH radicals in their ground rovibronic state
    • Maergoiz AI, Nikitin EE, Troe J. (1995) Statistical adiabatic channel calculation of accurate low-temperature rate constants for the recombination of OH radicals in their ground rovibronic state. J. Chem. Phys. 103: 2083- 2091.
    • (1995) J. Chem. Phys , vol.103 , pp. 2083-2091
    • Maergoiz, A.I.1    Nikitin, E.E.2    Troe, J.3
  • 65
    • 36149012927 scopus 로고
    • Scattering of ions by polarization forces
    • Vogt E, Wannier GH. (1954) Scattering of ions by polarization forces. Phys. Rev. 95: 1190-1198.
    • (1954) Phys. Rev , vol.95 , pp. 1190-1198
    • Vogt, E.1    Wannier, G.H.2
  • 67
    • 0038061469 scopus 로고    scopus 로고
    • Lowtemperature behavior of capture rate constants for inverse power potentials
    • Dashevskaya EI, Maergoiz AI, Troe J, Litvin I, Nikitin EE. (2003) Lowtemperature behavior of capture rate constants for inverse power potentials. J. Chem. Phys. 118: 7313-7320.
    • (2003) J. Chem. Phys , vol.118 , pp. 7313-7320
    • Dashevskaya, E.I.1    Maergoiz, A.I.2    Troe, J.3    Litvin, I.4    Nikitin, E.E.5
  • 68
    • 17144429652 scopus 로고    scopus 로고
    • Dynamics of ion-molecule complex formation at very low energies and temperatures
    • Nikitin EE, Troe J. (2005) Dynamics of ion-molecule complex formation at very low energies and temperatures. Phys. Che. Che. Phys. 7: 1540- 1551.
    • (2005) Phys. Che. Che. Phys , vol.7 , pp. 1540-1551
    • Nikitin, E.E.1    Troe, J.2
  • 70
    • 36449007091 scopus 로고
    • Variational optimizations in RRKM theory calculations for unimolecular dissociations with no reverse barrier
    • Klippenstein SJ. (1992) Variational optimizations in RRKM theory calculations for unimolecular dissociations with no reverse barrier. J. Che. Phys. 96: 367-371.
    • (1992) J. Che. Phys , vol.96 , pp. 367-371
    • Klippenstein, S.J.1
  • 72
    • 11744327594 scopus 로고    scopus 로고
    • Statistical adiabatic channel model for ion-molecule capture processes. II. Analytical treatment of ion-dipole capture
    • Troe J. (1996) Statistical adiabatic channel model for ion-molecule capture processes. II. Analytical treatment of ion-dipole capture. J. Che. Phys. 105: 6249-6262.
    • (1996) J. Che. Phys , vol.105 , pp. 6249-6262
    • Troe, J.1
  • 75
    • 33750583691 scopus 로고    scopus 로고
    • The temperature-dependence of rapid low temperature reactions: Experiment, understanding and prediction
    • Smith IWM, Sage AM, Donahue NM, Herbst E, Park IH. (2006) The temperature-dependence of rapid low temperature reactions: experiment, understanding and prediction. Faraday Disc. 133: 137-156.
    • (2006) Faraday Disc , vol.133 , pp. 137-156
    • Smith, I.W.M.1    Sage, A.M.2    Donahue, N.M.3    Herbst, E.4    Park, I.H.5
  • 77
    • 0002764263 scopus 로고
    • Temperature dependence of the reactions of CH radicals with unsaturated hydrocarbons
    • Berman MR, Fleming JW, Harvey AB, Lin MC. (1982) Temperature dependence of the reactions of CH radicals with unsaturated hydrocarbons. Che. Phys. 73: 27-33.
    • (1982) Che. Phys , vol.73 , pp. 27-33
    • Berman, M.R.1    Fleming, J.W.2    Harvey, A.B.3    Lin, M.C.4
  • 78
    • 0001657791 scopus 로고
    • Kinetics of CH radical reactions with selected molecules at room temperature
    • Butler JE, Fleming JW, Goss LP, Lin MC. (1981) Kinetics of CH radical reactions with selected molecules at room temperature. Che. Phys. 56: 355-365.
    • (1981) Che. Phys , vol.56 , pp. 355-365
    • Butler, J.E.1    Fleming, J.W.2    Goss, L.P.3    Lin, M.C.4
  • 79
    • 11644325714 scopus 로고    scopus 로고
    • Importance of different multipole interactions in fast reactions at low temperature
    • Tan X, Dong F, Li X. (1998) Importance of different multipole interactions in fast reactions at low temperature. J. Phys. Che. A. 102: 8169-8175.
    • (1998) J. Phys. Che. A , vol.102 , pp. 8169-8175
    • Tan, X.1    Dong, F.2    Li, X.3
  • 81
    • 0031362123 scopus 로고    scopus 로고
    • Experimental and theoretical kinetics for the reaction of Al with O2 at temperatures between 23 and 295 K
    • Le Picard SD, Canosa A, Travers D, Chastaing D, Rowe BR, Stoecklin T. (1997) Experimental and theoretical kinetics for the reaction of Al with O2 at temperatures between 23 and 295 K. J. Phys. Chem. A. 101: 9988-9992.
    • (1997) J. Phys. Chem. A , vol.101 , pp. 9988-9992
    • Le Picard, S.D.1    Canosa, A.2    Travers, D.3    Chastaing, D.4    Rowe, B.R.5    Stoecklin, T.6
  • 83
    • 0042205713 scopus 로고    scopus 로고
    • Computational studies of the kinetics of C + NO and O + CN reactions
    • Andersson S, Markovic N, Nyman G. (2003) Computational studies of the kinetics of C + NO and O + CN reactions. J. Phys. Chem. A. 107: 5439- 5447.
    • (2003) J. Phys. Chem. A , vol.107 , pp. 5439-5447
    • Andersson, S.1    Markovic, N.2    Nyman, G.3
  • 91
    • 23844544418 scopus 로고    scopus 로고
    • Kinetic measurements on methylidyne radical reactions with several hydrocarbons at low temperatures
    • Duagey N, Caubet P, Retail B, Costes M, Bergeat A, Dorthe G. (2005) Kinetic measurements on methylidyne radical reactions with several hydrocarbons at low temperatures. Phys. Chem. Chem. Phys. 7: 2921-2927.
    • (2005) Phys. Chem. Chem. Phys , vol.7 , pp. 2921-2927
    • Duagey, N.1    Caubet, P.2    Retail, B.3    Costes, M.4    Bergeat, A.5    Dorthe, G.6
  • 92
    • 33645668455 scopus 로고    scopus 로고
    • Reaction of anthracene with CH radicals: An experimental study of the kinetics between 58 and 470 K
    • Goulay F, Rebrion-Rowe C, Biennier L, Le Picard SD, Canosa A, Rowe BR. (2006) Reaction of anthracene with CH radicals: An experimental study of the kinetics between 58 and 470 K. J. Phys. Chem. A. 110: 3132-3137.
    • (2006) J. Phys. Chem. A , vol.110 , pp. 3132-3137
    • Goulay, F.1    Rebrion-Rowe, C.2    Biennier, L.3    Le Picard, S.D.4    Canosa, A.5    Rowe, B.R.6
  • 98
    • 0009004041 scopus 로고    scopus 로고
    • Kinetics of C2H radical reactions with ethene propene and 1-butene measured in a pulsed Laval nozzle apparatus at T = 103 and 296 K
    • Vakhtin AB, Heard DE, Smith IWM, Leone SR. (2001) Kinetics of C2H radical reactions with ethene propene and 1-butene measured in a pulsed Laval nozzle apparatus at T = 103 and 296 K. Che. Phys. Lett 348: 21-26.
    • (2001) Che. Phys. Lett , vol.348 , pp. 21-26
    • Vakhtin, A.B.1    Heard, D.E.2    Smith, I.W.M.3    Leone, S.R.4
  • 100
    • 36448998619 scopus 로고
    • 2nd-order perturbation theory with a complete active space self consistent field reference function
    • Andersson K, Malqmvist PA, Roos BO. (1992) 2nd-order perturbation theory with a complete active space self consistent field reference function. J. Che. Phys. 96: 1218-1226.
    • (1992) J. Che. Phys , vol.96 , pp. 1218-1226
    • Andersson, K.1    Malqmvist, P.A.2    Roos, B.O.3
  • 102
    • 4143095330 scopus 로고
    • Electron affinities of the 1st-row atoms revisited. Systematic basis sets and correlated wave functions
    • Kendall RA, Dunning TH, Harrison RJ. (1992) Electron affinities of the 1st-row atoms revisited. Systematic basis sets and correlated wave functions. J. Che. Phys. 96: 6796-6806.
    • (1992) J. Che. Phys , vol.96 , pp. 6796-6806
    • Kendall, R.A.1    Dunning, T.H.2    Harrison, R.J.3
  • 105
    • 0011682081 scopus 로고
    • Quadratic configuration interaction. A general technique for determining electron correlation energies
    • Pople JA, Head-Gordon M, Raghavachari K. (1987) Quadratic configuration interaction. A general technique for determining electron correlation energies. J. Chem. Phys. 87: 5968-5975.
    • (1987) J. Chem. Phys , vol.87 , pp. 5968-5975
    • Pople, J.A.1    Head-Gordon, M.2    Raghavachari, K.3
  • 106
    • 84990713479 scopus 로고
    • A diagnostic for determining the quality of single reference electron correlation methods
    • Lee TJ, Taylor PR. (1989) A diagnostic for determining the quality of single reference electron correlation methods. Int. J. Quantum. Chem. S23: 199-207.
    • (1989) Int. J. Quantum. Chem , vol.S23 , pp. 199-207
    • Lee, T.J.1    Taylor, P.R.2
  • 108
    • 0002507874 scopus 로고    scopus 로고
    • Basis set convergence in second-row compounds. The importance of core polarization functions
    • Martin JML, Uzan O. (1998) Basis set convergence in second-row compounds. The importance of core polarization functions. Chem. Phys. Lett. 282: 16-24.
    • (1998) Chem. Phys. Lett , vol.282 , pp. 16-24
    • Martin, J.M.L.1    Uzan, O.2
  • 110
    • 33750004854 scopus 로고    scopus 로고
    • W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions
    • Karton A, Rabinovich E, Martin JML, Ruscic B. (2006) W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions. J. Chem. Phys. 125: 144108: 1-17.
    • (2006) J. Chem. Phys , vol.125 , pp. 1-17
    • Karton, A.1    Rabinovich, E.2    Martin, J.M.L.3    Ruscic, B.4
  • 112
    • 33847207462 scopus 로고    scopus 로고
    • Density functional theory with dispersion corrections for supramolecular structures, aggregates, and complexes of bio(organic) molecules
    • Grimme S, Antony J, Schwabe T, Muck-Lichtenfeld C. (2007) Density functional theory with dispersion corrections for supramolecular structures, aggregates, and complexes of bio(organic) molecules. Org. Biomol. Chem. 5: 741-758.
    • (2007) Org. Biomol. Chem , vol.5 , pp. 741-758
    • Grimme, S.1    Antony, J.2    Schwabe, T.3    Muck-Lichtenfeld, C.4
  • 113
    • 20544443492 scopus 로고    scopus 로고
    • Predictive theory for hydrogen atom-hydrocarbon radical association kinetics
    • Harding LB, Georgievskii Y, Klippenstein SJ. (2005) Predictive theory for hydrogen atom-hydrocarbon radical association kinetics. J. Phys. Chem. A. 109: 4646-4656.
    • (2005) J. Phys. Chem. A , vol.109 , pp. 4646-4656
    • Harding, L.B.1    Georgievskii, Y.2    Klippenstein, S.J.3
  • 115
    • 34249797021 scopus 로고    scopus 로고
    • On the combination reactions of hydrogen atoms with resonance stabilized hydrocarbon radicals
    • Harding LB, Klippenstein SJ, Georgievskii Y. (2007) On the combination reactions of hydrogen atoms with resonance stabilized hydrocarbon radicals. J. Phys. Chem. A. 111: 3789-3801.
    • (2007) J. Phys. Chem. A , vol.111 , pp. 3789-3801
    • Harding, L.B.1    Klippenstein, S.J.2    Georgievskii, Y.3
  • 116
    • 34249779575 scopus 로고    scopus 로고
    • Kinetics of the reaction of methyl radical with hydroxyl radical and methanol decomposition
    • Jasper AW, Klippenstein SJ, Harding LB, Ruscic B. (2007) Kinetics of the reaction of methyl radical with hydroxyl radical and methanol decomposition. J. Phys. Chem. A. 111: 3932-3950.
    • (2007) J. Phys. Chem. A , vol.111 , pp. 3932-3950
    • Jasper, A.W.1    Klippenstein, S.J.2    Harding, L.B.3    Ruscic, B.4
  • 118
    • 0001761015 scopus 로고
    • 2 reaction at low temperature
    • 2 reaction at low temperature. Chem. Phys. Lett. 222: 297-301.
    • (1994) Chem. Phys. Lett , vol.222 , pp. 297-301
    • Herbst, E.1
  • 119
    • 33845503800 scopus 로고
    • Unified statistical model for “complex” and “direct” reaction mechanisms
    • Miller WH, (1976) Unified statistical model for “complex” and “direct” reaction mechanisms. J. Chem. Phys. 65: 2216-2223.
    • (1976) J. Chem. Phys , vol.65 , pp. 2216-2223
    • Miller, W.H.1
  • 120
    • 33749588177 scopus 로고    scopus 로고
    • Master equation methods in gas phase chemical kinetcs
    • Miller JA, Klippenstein SJ. (2006) Master equation methods in gas phase chemical kinetcs. J. Phys. Chem. A. 110: 10528-10544.
    • (2006) J. Phys. Chem. A , vol.110 , pp. 10528-10544
    • Miller, J.A.1    Klippenstein, S.J.2
  • 121
    • 0000710824 scopus 로고
    • Temperature dependence of the reactions of oxygen atoms with olefins
    • Singleton DL, Cvetanovic RJ. (1976) Temperature dependence of the reactions of oxygen atoms with olefins. J. Am. Chem. Soc. 98: 6812-6819.
    • (1976) J. Am. Chem. Soc , vol.98 , pp. 6812-6819
    • Singleton, D.L.1    Cvetanovic, R.J.2
  • 122
    • 0001506845 scopus 로고
    • Mode selective chemistry in the reactions of OH with HBr and HCl
    • Clary DC, Nyman G, Hernandez R. (1994) Mode selective chemistry in the reactions of OH with HBr and HCl. J. Chem. Phys. 101: 3704-3714.
    • (1994) J. Chem. Phys , vol.101 , pp. 3704-3714
    • Clary, D.C.1    Nyman, G.2    Hernandez, R.3
  • 123
    • 0001338247 scopus 로고    scopus 로고
    • 3 reaction under interstellar conditions: Beyond capture theories?
    • 3 reaction under interstellar conditions: Beyond capture theories? Astron. Astrophys. 348: 972-977.
    • (1999) Astron. Astrophys , vol.348 , pp. 972-977
    • Faure, A.1    Rist, C.2    Valiron, P.3
  • 124
    • 0034653095 scopus 로고    scopus 로고
    • Temperature dependence of fast neutral-neutral reactions: A triatomic model study
    • Faure A, Wiesenfeld L, Valiron P. (2000) Temperature dependence of fast neutral-neutral reactions: A triatomic model study. Chem. Phys. 254: 49-67.
    • (2000) Chem. Phys , vol.254 , pp. 49-67
    • Faure, A.1    Wiesenfeld, L.2    Valiron, P.3
  • 125
    • 0031261115 scopus 로고    scopus 로고
    • 2 at interstellar temperatures
    • 2 at interstellar temperatures. Astrophys. J. 489: 109-112.
    • (1997) Astrophys. J , vol.489 , pp. 109-112
    • Herbst, E.1    Woon, D.E.2
  • 126
    • 12044259195 scopus 로고
    • Interstellar carbon chemistry: Reaction rates of neutral atomic carbon with organic molecules
    • Clary DC, Haider N, Husain D, Kabir M. (1994) Interstellar carbon chemistry: Reaction rates of neutral atomic carbon with organic molecules. Astrophys. J. 422: 416-422.
    • (1994) Astrophys. J , vol.422 , pp. 416-422
    • Clary, D.C.1    Haider, N.2    Husain, D.3    Kabir, M.4
  • 129
    • 0000422882 scopus 로고    scopus 로고
    • Theoretical study of the kinetics of the hydrogen abstraction from methanol. 3. Reaction of methanol hydrogen atom, methyl, and hydroxyl radicals
    • Jodkowski JT, Rayez MT, Rayez JC, Berces T, Dobe S. (1998) Theoretical study of the kinetics of the hydrogen abstraction from methanol. 3. Reaction of methanol hydrogen atom, methyl, and hydroxyl radicals. J. Phys. Chem. A. 103: 3750-3765.
    • (1998) J. Phys. Chem. A , vol.103 , pp. 3750-3765
    • Jodkowski, J.T.1    Rayez, M.T.2    Rayez, J.C.3    Berces, T.4    Dobe, S.5
  • 130
    • 33646232233 scopus 로고    scopus 로고
    • 2O reaction: The effect of the OH-OCH2 complex on the H-abstraction kinetics
    • 2O reaction: The effect of the OH-OCH2 complex on the H-abstraction kinetics. Int. J. Chem. Kinet. 38: 322-326.
    • (2006) Int. J. Chem. Kinet , vol.38 , pp. 322-326
    • Xu, S.C.1    Zhu, R.S.2    Lin, M.C.3
  • 132
    • 0342620581 scopus 로고
    • 2 and CO on an ab initio determined potential energy surface
    • 2 and CO on an ab initio determined potential energy surface. J. Phys. Chem. 95: 9882-9889.
    • (1991) J. Phys. Chem , vol.95 , pp. 9882-9889
    • Yu, J.1    Klippenstein, S.J.2
  • 134
    • 0000130251 scopus 로고    scopus 로고
    • A high level ab initio map and direct statistical treatment of the fragmentation of singlet ketene
    • Klippenstein SJ, East ALL, Allen WD. (1996) A high level ab initio map and direct statistical treatment of the fragmentation of singlet ketene. J. Chem. Phys. 105: 118-140.
    • (1996) J. Chem. Phys , vol.105 , pp. 118-140
    • Klippenstein, S.J.1    East, A.L.L.2    Allen, W.D.3
  • 135
    • 20744448853 scopus 로고    scopus 로고
    • Channel specific rate constants relevant to the thermal decomposition of disilane
    • Matsumoto K, Klippenstein SJ, Tonokura K, Koshi M. (2005) Channel specific rate constants relevant to the thermal decomposition of disilane. J. Phys. Chem. A. 109: 4911-4920.
    • (2005) J. Phys. Chem. A , vol.109 , pp. 4911-4920
    • Matsumoto, K.1    Klippenstein, S.J.2    Tonokura, K.3    Koshi, M.4
  • 136
    • 34447529250 scopus 로고    scopus 로고
    • A two transition state model for radical-molecule reactions: Applications to isomeric branching in the OH-isoprene reaction
    • Greenwald EE, North SW, Georgievskii Y, Klippenstein SJ. (2007) A two transition state model for radical-molecule reactions: Applications to isomeric branching in the OH-isoprene reaction. J. Phys. Chem. A. 111: 5582- 5592.
    • (2007) J. Phys. Chem. A , vol.111 , pp. 5582-5592
    • Greenwald, E.E.1    North, S.W.2    Georgievskii, Y.3    Klippenstein, S.J.4
  • 137
    • 37049140874 scopus 로고
    • Reactions of cyanogen radicals. Part 3. Arrhenius parameters for reactions with alkanes
    • Bullock GE, Cooper RE. (1972) Reactions of cyanogen radicals. Part 3. Arrhenius parameters for reactions with alkanes. J. Chem. Soc. Faraday Trans. I 68: 2185-2190.
    • (1972) J. Chem. Soc. Faraday Trans. I , vol.68 , pp. 2185-2190
    • Bullock, G.E.1    Cooper, R.E.2
  • 138
    • 0000611458 scopus 로고
    • Kinetic study of the reactions of CN with ethane and propane
    • Hess WP, Durant JL, Tully FP. (1989) Kinetic study of the reactions of CN with ethane and propane. J. Phys. Chem. 93: 6402-6407.
    • (1989) J. Phys. Chem , vol.93 , pp. 6402-6407
    • Hess, W.P.1    Durant, J.L.2    Tully, F.P.3
  • 139
    • 33751499741 scopus 로고
    • 8 from 292 to 1500 K using high temperature photochemistry and diode laser absorption
    • 8 from 292 to 1500 K using high temperature photochemistry and diode laser absorption. J. Phys. Chem. 95: 8694-8701.
    • (1991) J. Phys. Chem , vol.95 , pp. 8694-8701
    • Balla, R.J.1    Castleton, K.H.2
  • 140
    • 0011704622 scopus 로고
    • Kinetic studies of the reactions of CN radicals with alkanes in the temperature range between 294 and 1260 K
    • Atakan B, Wolfrum J. (1991) Kinetic studies of the reactions of CN radicals with alkanes in the temperature range between 294 and 1260 K. Chem. Phys. Lett. 186: 547-552.
    • (1991) Chem. Phys. Lett , vol.186 , pp. 547-552
    • Atakan, B.1    Wolfrum, J.2
  • 145
    • 0037514021 scopus 로고    scopus 로고
    • Low temperature kinetics of reactions of OH radical with ethene, propene, and 1-butene
    • Vakhtin AB, Murphy JE, Leone SR. (2003) Low temperature kinetics of reactions of OH radical with ethene, propene, and 1-butene. J. Phys. Chem. A. 107: 10055-10062.
    • (2003) J. Phys. Chem. A , vol.107 , pp. 10055-10062
    • Vakhtin, A.B.1    Murphy, J.E.2    Leone, S.R.3
  • 147
    • 37849026190 scopus 로고    scopus 로고
    • Pulsed Laval nozzle study of the kinetics of OH with unsaturated hydrocarbons at very low temperatures
    • Taylor SE, Goddard A, Blitz MA, Cleary PA, Heard DE. (2008) Pulsed Laval nozzle study of the kinetics of OH with unsaturated hydrocarbons at very low temperatures. Phys. Chem. Chem. Phys. 10: 422-429.
    • (2008) Phys. Chem. Chem. Phys , vol.10 , pp. 422-429
    • Taylor, S.E.1    Goddard, A.2    Blitz, M.A.3    Cleary, P.A.4    Heard, D.E.5
  • 151
    • 0344272374 scopus 로고    scopus 로고
    • Transition state theory for multichannel addition reactions: Multifaceted dividing surfaces
    • Georgievskii Y, Klippenstein SJ. (2003) Transition state theory for multichannel addition reactions: Multifaceted dividing surfaces. J. Phys. Chem. A. 107: 9776-9781.
    • (2003) J. Phys. Chem. A , vol.107 , pp. 9776-9781
    • Georgievskii, Y.1    Klippenstein, S.J.2
  • 152
    • 0000577218 scopus 로고
    • Application of unimolecular reaction rate theory for highly flexible transition states to the dissociation of NCNO into NC and NO
    • Klippenstein SJ, Khundkar LR, Zewail AH, Marcus RA. (1988) Application of unimolecular reaction rate theory for highly flexible transition states to the dissociation of NCNO into NC and NO. J. Chem. Phys. 89: 4761-4770.
    • (1988) J. Chem. Phys , vol.89 , pp. 4761-4770
    • Klippenstein, S.J.1    Khundkar, L.R.2    Zewail, A.H.3    Marcus, R.A.4
  • 153
    • 0004575320 scopus 로고    scopus 로고
    • A saturated LIF study on the high pressure limiting rate constant of the reaction CN + NO + M → NCNO + M between 200 and 600 K
    • Reznickova JG, Hippler H, Striebel F, Tevazdze L. (2000) A saturated LIF study on the high pressure limiting rate constant of the reaction CN + NO + M → NCNO + M between 200 and 600 K. Z. Phys. Chem. 214: 1115-1136.
    • (2000) Z. Phys. Chem , vol.214 , pp. 1115-1136
    • Reznickova, J.G.1    Hippler, H.2    Striebel, F.3    Tevazdze, L.4
  • 154
    • 0141450257 scopus 로고    scopus 로고
    • Rate theory of methyl recombination at the low temperatures and pressures of planetary atmospheres
    • Smith GP. (2003) Rate theory of methyl recombination at the low temperatures and pressures of planetary atmospheres. Chem. Phys. Lett. 376: 381-388.
    • (2003) Chem. Phys. Lett , vol.376 , pp. 381-388
    • Smith, G.P.1
  • 159
    • 34547159222 scopus 로고    scopus 로고
    • g) reaction on an improved ab initio potential energy surface and implications for the interstellar oxygen problem
    • 1-6
    • g) reaction on an improved ab initio potential energy surface and implications for the interstellar oxygen problem. J. Chem. Phys. 127: 024304; 1-6.
    • (2007) J. Chem. Phys , vol.127 , pp. 024304
    • Xu, C.1    Xie, D.2    Honvault, P.3    Lin, S.Y.4    Guo, H.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.