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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

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Reference TypeJournal (article/letter/editorial)
TitleAb initio calculations on the equilibrium constant of the reaction NH2- + H2 ⇌ NH3 + H- by the SCF and many-body Rayleigh-Schrӧdinger perturbation theory
JournalCollection of Czechoslovak Chemical Communications
AuthorsČársky, PetrAuthor
Zahradník, RudolfAuthor
Urban, MiroslavAuthor
Kellӧ, VladimírAuthor
Year1978Volume43
PublisherInstitute of Organic Chemistry & Biochemistry
DOIdoi:10.1135/cccc19781965Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID4384595Long-form Identifiermindat:1:5:4384595:4
GUID0
Full ReferenceČársky, 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
Plain TextČársky, 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
In(1978) Collection of Czechoslovak Chemical Communications Vol. 43. Institute of Organic Chemistry & Biochemistry

See Also

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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
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
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
Kellö, Vladimír, Urban, Miroslav, Hubač, Ivan, Čársky, Petr (1978) AB initio studies of chemical equilibria. Application of many-body rayleigh-schrödinger perturbation theory up to third order to the proton affinity of water. Chemical Physics Letters, 58. 83-86 doi:10.1016/0009-2614(78)80321-2
Čársky, Petr, Hrouda, Vojtěch, Sychrovský, Vladimír, Hubač, Ivan, Babinec, Peter, Mach, Pavol, Urban, Ján, Mášik, Jozef (1995) Brillouin-Wigner Perturbation Theory as a Possible more Effective Alternative to Many-Body Rayleigh-Schrodinger Perturbation Theory and Coupled Cluster Theory. Collection of Czechoslovak Chemical Communications, 60. 1419-1428 doi:10.1135/cccc19951419
Černušák, Ivan, Urban, Miroslav (1978) Effect of hydration on hydrogen bond in Li+···H2O···OH-. Ab initio SCF calculations. Collection of Czechoslovak Chemical Communications, 43. 1956-1964 doi:10.1135/cccc19781956
Hobza, Pavel, Čársky, Petr, Zahradník, Rudolf (1978) Semiempirical EPCE-F2σ correlation energies for Van der Waals complexes and energies of reaction. Collection of Czechoslovak Chemical Communications, 43. 676-680 doi:10.1135/cccc19780676
Čársky, Petr, Hubač, Ivan (1981) Correlation energy in triplet electronic states. Application of the many-body Rayleigh-Schrödinger perturbation theory in the restricted Roothaan-Hartree-Fock formalism. Collection of Czechoslovak Chemical Communications, 46. 1324-1331 doi:10.1135/cccc19811324
Heidrich, Dietmar, Hobza, Pavel, Čársky, Petr, Zahradník, Rudolf (1978) Effect of correlation energy on the stability of classical and nonclassical structures of protonated benzene. Collection of Czechoslovak Chemical Communications, 43. 3020-3023 doi:10.1135/cccc19783020
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
Sauer, Joachim, Čársky, Petr, Zahradník, Rudolf (1982) INDO/S calculations on simple silicon compounds and some silicon organic molecules. Collection of Czechoslovak Chemical Communications, 47. 1149-1168 doi:10.1135/cccc19821149
 
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