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Bjoern O. Roos

Veröffentlichungen von Bjoern O. Roos zu Malmqvist, Per Aake. ->
weitere Veröffentlichungen von Bjoern O. Roos:
Theoretical and Experimental Determination of the Electronic Spectrum of Norbornadiene (1994)
Ab initio quantum chemical study of the .pi.-electron spectrum of the cytosine molecule (1988)
Is chromium hexafluoride octahedral? Theory confirms "yes!" (1992)
Oxathiiranes. 9. An ab initio CASSCF study of the photolytic formation and decomposition of oxathiirane (1984)
Toward an accurate molecular orbital theory for excited states: the azabenzenes (1992)
The restricted active space self-consistent-field method, implemented with a split graph unitary group approach (1990)
Theoretical Study of the Electronic Spectra of Uracil and Thymine (1995)
Theoretical Study of the Internal Charge Transfer in Aminobenzonitriles (1995)
A MCSCF study of homoaromaticity and the role of ion pairing in the stabilization of carbanions (1986)
A Theoretical Study of the Electronic Spectra of the Biphenyl Cation and Anion (1995)
Theoretical study of the electronic spectrum of all-trans-1,3,5,7-octatetraene (1993)
Singlet and triplet potential surfaces for the nickel-ethylene [Ni(C2H4)] complex. A CASSCF-CI study (1985)
A Theoretical Study of the (Cyclobutane)diazadivanadium Complex (1995)
Theoretical study of the electronic spectra of cyclopentadiene, pyrrole, and furan (1993)
The ab initio calculation of inner sphere reorganization energies of inorganic redox couples (1993)
Veröffentlichungen zu Malmqvist, Per Aake.
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Malmqvist, Per Aake. The restricted active space self-consistent-field method, implemented with a split graph unitary group approach
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 94, No. 14 (1990), p. 5477-5482
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1990
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2
Andersson, Kerstin. Second-order perturbation theory with a CASSCF reference function
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 94, No. 14 (1990), p. 5483-5488
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1990