About: Multireference coupled-cluster calculations on the energy of activation in the automerization of cyclobutadiene: Assessment of the state-specific multireference Brillouin-Wigner theory     Goto   Sponge   NotDistinct   Permalink

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  • Dáta z článku J.Chem. Phys. 101.8972 (1994) boli použité , ako test pre novovyvinutú stavovošpecifickú multireferenčnú Brillouin-Wignerovu metódu spriahnutých klastrov. (cs)
  • Hilbert-space state-universal multireference coupled-cluster (MR CC) data on cyclobutadiene [A. Balkova and R. J. Bartlett, J. Chem. Phys. 101, 8972 (1994)] were used as a benchmark for testing our recently developed state-specific (single-root) multireference Brillouin-Wigner coupled-cluster (MR BWCC) theory...
  • Hilbert-space state-universal multireference coupled-cluster (MR CC) data on cyclobutadiene [A. Balkova and R. J. Bartlett, J. Chem. Phys. 101, 8972 (1994)] were used as a benchmark for testing our recently developed state-specific (single-root) multireference Brillouin-Wigner coupled-cluster (MR BWCC) theory... (en)
Title
  • Multireference coupled-cluster calculations on the energy of activation in the automerization of cyclobutadiene: Assessment of the state-specific multireference Brillouin-Wigner theory
  • Multireference coupled-cluster calculations on the energy of activation in the automerization of cyclobutadiene: Assessment of the state-specific multireference Brillouin-Wigner theory (en)
  • Výpočet energie aktivácie automerizácie cyklobutadénu multireferenčnou metódou sriahnutých klastrov: Zavedenie stavovo špecifickej multireferenčnej Brillouin-Wignerovej teórie (cs)
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  • Multireference coupled-cluster calculations on the energy of activation in the automerization of cyclobutadiene: Assessment of the state-specific multireference Brillouin-Wigner theory
  • Multireference coupled-cluster calculations on the energy of activation in the automerization of cyclobutadiene: Assessment of the state-specific multireference Brillouin-Wigner theory (en)
  • Výpočet energie aktivácie automerizácie cyklobutadénu multireferenčnou metódou sriahnutých klastrov: Zavedenie stavovo špecifickej multireferenčnej Brillouin-Wignerovej teórie (cs)
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  • RIV/47813059:19240/00:#0001964!RIV09-MSM-19240___
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  • P(GA203/99/D009), P(KSK2040602), P(OC D9.10), S, Z(AV0Z4040901)
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  • 20
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  • 718441
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  • RIV/47813059:19240/00:#0001964
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  • Brillouin-Wigner theory, Hilbert-space state-universal multireference coupled-cluster (en)
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  • US - Spojené státy americké
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  • [885D5942E8D4]
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  • JOURNAL OF CHEMICAL PHYSICS
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  • 112
http://linked.open...iv/tvurceVysledku
  • Hubač, Ivan
http://linked.open...ain/vavai/riv/wos
  • 000086851200007
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  • 0021-9606
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  • 19240
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