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Čársky, Petr (1979) Quantum mechanical tunnelling in the processes D + H2 → DH + H and CH4 + H → CH3 + H2. Eckart's tunnelling corrections for rate constants given by ab initio calculations. Collection of Czechoslovak Chemical Communications, 44. 3452-3457 doi:10.1135/cccc19793452

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Reference TypeJournal (article/letter/editorial)
TitleQuantum mechanical tunnelling in the processes D + H2 → DH + H and CH4 + H → CH3 + H2. Eckart's tunnelling corrections for rate constants given by ab initio calculations
JournalCollection of Czechoslovak Chemical Communications
AuthorsČársky, PetrAuthor
Year1979Volume44
PublisherInstitute of Organic Chemistry & Biochemistry
DOIdoi:10.1135/cccc19793452Search in ResearchGate
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Mindat Ref. ID4384740Long-form Identifiermindat:1:5:4384740:2
GUID0
Full ReferenceČársky, Petr (1979) Quantum mechanical tunnelling in the processes D + H2 → DH + H and CH4 + H → CH3 + H2. Eckart's tunnelling corrections for rate constants given by ab initio calculations. Collection of Czechoslovak Chemical Communications, 44. 3452-3457 doi:10.1135/cccc19793452
Plain TextČársky, Petr (1979) Quantum mechanical tunnelling in the processes D + H2 → DH + H and CH4 + H → CH3 + H2. Eckart's tunnelling corrections for rate constants given by ab initio calculations. Collection of Czechoslovak Chemical Communications, 44. 3452-3457 doi:10.1135/cccc19793452
In(1979) Collection of Czechoslovak Chemical Communications Vol. 44. Institute of Organic Chemistry & Biochemistry

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Čársky, Petr, Zahradník, Rudolf, Urban, Miroslav, Kellӧ, Vladimír (1978) Ab initio calculations on the equilibrium constant of the reaction NH2- + H2 ⇌ NH3 + H- by the SCF and many-body Rayleigh-Schrӧdinger perturbation theory. Collection of Czechoslovak Chemical Communications, 43. 1965-1973 doi:10.1135/cccc19781965
Kozák, Ivan, Čársky, Petr (1981) Ab initio calculation of the equilibrium constant of the reaction Na + H2O ⇌ NaOH + H. Collection of Czechoslovak Chemical Communications, 46. 2146-2148 doi:10.1135/cccc19812146
Kozák, Ivan, Špirko, Vladimír, Čársky, Petr (1981) Ab initio calculations of the ground state potential function of the hydroxyl anion by means of the many-body Rayleigh-Schrödinger perturbation theory. Collection of Czechoslovak Chemical Communications, 46. 2595-2599 doi:10.1135/cccc19812595
Češpiva, Ladislav, Bonačič-Koutecký, Vlasta, Koutecký, Jaroslav, Jensen, Per, Hrouda, Vojtěch, Čársky, Petr, Špirko, Vladimír, Hobza, Pavel (1993) Ab initio Calculations of the Rotation-Vibration Spectrum of Na3+. Collection of Czechoslovak Chemical Communications, 58. 24-28 doi:10.1135/cccc19930024
Zhou, Yong, Zhang, Dong H. (2014) Eight-dimensional quantum reaction rate calculations for the H+CH4 and H2+CH3 reactions on recent potential energy surfaces. The Journal of Chemical Physics, 141 (19). 194307pp. doi:10.1063/1.4902005
Kerkeni, Boutheı̈na, Clary, David C. (2004) Ab initiorate constants from hyperspherical quantum scattering: Application to H+CH4→H2+CH3. The Journal of Chemical Physics, 120 (5). 2308-2318 doi:10.1063/1.1635816
Huber, Hanspeter, Pancíř, J., Čársky, P. (1977) Effective search for minima on the ab initio SCF energy hypersurfaces. Collection of Czechoslovak Chemical Communications, 42. 2767-2771 doi:10.1135/cccc19772767
Urban, M. (1971) Ab initio SCF-MO-LCAO calculations with a molecule-calibrated contracted Gaussian basis. I. CH3+,CH3-, ethylene. Collection of Czechoslovak Chemical Communications, 36. 3482-3496 doi:10.1135/cccc19713482
Zhou, Yong, Fu, Bina, Wang, Chunrui, Collins, Michael A., Zhang, Dong H. (2011) Ab initio potential energy surface and quantum dynamics for the H + CH4 → H2 + CH3 reaction. The Journal of Chemical Physics, 134 (6). 64323pp. doi:10.1063/1.3552088
Čársky, Petr, Zahradník, Rudolf, Urban, Miroslav, Kellö, Vladimír (1979) Ab initio studies of chemical equilibria. A refined approach to the reaction NH−2 + H2 ⇌ NH3 + H−. Chemical Physics Letters, 61. 85-87 doi:10.1016/0009-2614(79)85091-5
Wu, Tao, Werner, Hans-Joachim, Manthe, Uwe (2006) Accurate potential energy surface and quantum reaction rate calculations for the H+CH4→H2+CH3 reaction. The Journal of Chemical Physics, 124 (16). 164307pp. doi:10.1063/1.2189223
 
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