화학공학소재연구정보센터
검색결과 : 11건
No. Article
1 Breaking N-2 triple bond: the coupled-cluster corrected multi-reference configuration interaction description
Meissner L, Gryniakow J, Hubac I
Chemical Physics Letters, 397(1-3), 34, 2004
2 Multireference Brillouin-Wigner coupled cluster singles and doubles study of the singlet-triplet separation in alkylcarbenes
Demel O, Pittner J, Carsky P, Hubac I
Journal of Physical Chemistry A, 108(15), 3125, 2004
3 On the Estimation of the Remainder Term in Moller-Plesset MP2 Theory from Limited Configuration Interaction
Hubac I, Wilson S
International Journal of Molecular Sciences, 3(5), 570, 2002
4 Brillouin-Wigner coupled cluster theory: Fock-space approach
Petraco NDK, Horny L, Schaefer HF, Hubac I
Journal of Chemical Physics, 117(21), 9580, 2002
5 On the ground states of CaC and ZnC: A multireference Brillouin-Wigner coupled cluster study
Kerkines ISK, Pittner J, Carsky P, Mavridis A, Hubac I
Journal of Chemical Physics, 117(21), 9733, 2002
6 State-specific Brillouin-Wigner multireference coupled cluster study of the singlet-triplet separation in the tetramethyleneethane diradical
Pittner J, Nachtigall P, Carsky P, Hubac I
Journal of Physical Chemistry A, 105(8), 1354, 2001
7 Size-extensivity correction for the state-specific multireference Brillouin-Wigner coupled-cluster theory
Hubac I, Pittner J, Carsky P
Journal of Chemical Physics, 112(20), 8779, 2000
8 Multireference coupled-cluster calculations on the energy of activation in the automerization of cyclobutadiene: Assessment of the state-specific multireference Brillouin-Wigner theory
Sancho-Garcia JC, Pittner J, Carsky P, Hubac I
Journal of Chemical Physics, 112(20), 8785, 2000
9 Assessment of the single-root multireference Brillouin-Wigner coupled-cluster method: Test calculations on CH2, SiH2, and twisted ethylene
Pittner J, Nachtigall P, Carsky P, Masik J, Hubac I
Journal of Chemical Physics, 110(21), 10275, 1999
10 Single-root multireference Brillouin-Wigner coupled-cluster theory : Applicability to the F-2 molecule
Masik J, Hubac I, Mach P
Journal of Chemical Physics, 108(16), 6571, 1998