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- 2004
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Mark
A coupled cluster study of the oriented circular dichroism of the n ->pi* electronic transition in cyclopropanone and natural optical active related structures
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- Contribution to journal › Article
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Mark
Origin invariant calculation of optical rotation without recourse to London orbitals
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- Contribution to journal › Article
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Mark
Protonation status of metal-bound ligands can be determined by quantum refinement
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- Contribution to journal › Article
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Mark
Binding of benzylpenicillin to metallo-beta-lactamase: A QM/MM study
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- Contribution to journal › Article
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Mark
Polarizabilities of small annulenes from Cholesky CC2 linear response theory
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- Contribution to journal › Article
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Mark
The structure of sitting-atop complexes of metalloporphyrins studied by theoretical methods
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- Contribution to journal › Article
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Mark
Relativistic quantum chemistry: the multiconfigurational approach
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- Contribution to journal › Article
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Mark
A theoretical study of the bonding in trivalent americium complexes
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- Contribution to journal › Article
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Mark
Are Hartree-Fock atoms too small or too large?
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- Contribution to journal › Article
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Mark
Relativistic atomic natural orbital type basis sets for the alkaline and alkaline-earth atoms applied to the ground-state potentials for the corresponding dimers
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- Contribution to journal › Article