0180883 - UFCH-W 20000072 RIV US eng J - Journal Article
Sancho-García, J. C. - Pittner, Jiří - Čársky, Petr - Hubač, I.
Multireference Coupled-cluster Calculations on the Energy of Activation in the Automerization of Cyclobutadiene: Assessment of the State-specific Multireference Brillouin-Wigner Theory.
Journal of Chemical Physics. Roč. 112, č. 20 (2000), s. 8785-8788. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR GA203/99/D009; GA MŠMT OC D9.10; GA AV ČR KSK2040602
Institutional research plan: CEZ:AV0Z4040901
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.301, year: 2000

We benchmarked the size-extensivity corrected state-specific multireference Brillouin-Wigner couple-cluster method on the energy of activation of the automerization of cyclobutadiene.
Permanent Link: http://hdl.handle.net/11104/0077504