Theoretical Chemistry Accounts
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Overview
publication venue for
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Hückeloid model for planar boranes.
140:55.
2021
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On the effect of charge and spin in He(q)@XnZ12−nH12( n−2) molecules, with X = {C, Si}, Z = {B, Al} and q = {0, + 1, + 2}, n = {0, 1}.
138:102.
2019
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Intramolecular ferromagnetic coupling in bis-oxoverdazyl and bis-thioxoverdazyl diradicals with polyacene spacers.
127:57-67.
2010
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Peculiarities of electric field alignment of nonlinear optical chromophores incorporated into thin film polymer matrix.
114:153-158.
2005
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Perspective on The spectra and electronic structure of the tetrahedral ions MnO4, CrO4, and ClO4.
103:221-224.
2000
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Generalized extended empirical bond-order dependent force fields including nonbond interactions.
102:346-354.
1999
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Isomer combinatorics for acyclic conjugated polyenes: enumeration and beyond.
101:371-387.
1999
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Extremely localized molecular orbitals (ELMO): a non-orthogonal Hartree-Fock method.
97:96-109.
1997
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Double cosets in chemistry and physics.
63:447-472.
1983
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