화학공학소재연구정보센터
검색결과 : 11건
No. Article
1 Wavefunction quality and error estimation of single- and multi-reference coupled-cluster and CI methods: The H-4 model system
Hanrath M
Chemical Physics Letters, 466(4-6), 240, 2008
2 Evaluation of incremental correlation energies for open-shell systems: Application to the intermediates of the 4-exo cyclization, Arduengo carbenes and an anionic water cluster
Friedrich J, Hanrath M, Dolg M
Journal of Physical Chemistry A, 112(37), 8762, 2008
3 Energy screening for the incremental scheme: Application to intermolecular interactions
Friedrich J, Hanrath M, Dolg M
Journal of Physical Chemistry A, 111(39), 9830, 2007
4 Initial applications of an exponential multi-reference wavefunction ansatz
Hanrath M
Chemical Physics Letters, 420(4-6), 426, 2006
5 Molecular results for the Hartree-Fock-Wigner model
Fondermann R, Hanrath M, Dolg M, O'Neill DP
Chemical Physics Letters, 413(1-3), 237, 2005
6 Ab initio study of the electronic spectrum of 7-hydroxyquinoline
Franz J, Peyerimhoff SD, Hanrath M, Kwon OH, Jang DJ
Chemistry Letters, 34(3), 330, 2005
7 Study of possible photodissociation channels in linear carbon clusters C-n (n=4-6)
Cao ZX, Muhlhauser M, Hanrath M, Peyerimhoff SD
Chemical Physics Letters, 351(3-4), 327, 2002
8 The electronic spectrum of C-5
Hanrath M, Peyerimhoff SD
Chemical Physics Letters, 337(4-6), 368, 2001
9 The electronic spectrum of linear and rhombic C-4
Muhlhauser M, Froudakis GE, Hanrath M, Peyerimhoff SD
Chemical Physics Letters, 324(1-3), 195, 2000
10 Electronic absorption spectra of linear C-6, C-8 and cyclic C-10, C-12 in neon matrices
Grutter M, Wyss M, Riaplov E, Maier JP, Peyerimhoff SD, Hanrath M
Journal of Chemical Physics, 111(16), 7397, 1999