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- 2002
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Mark
Coordination of the neptunyl ion with carbonate ions and water: a theoretical study.
(
- Contribution to journal › Article
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Mark
Quasi diabatic CASSCF state functions
2002) Molecular Quantum Mechanics: The Right Answer for the Right Reason. An International Conference in Honour of Professor Ernest R. Davidson 100(6). p.903-909(
- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding
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Mark
Theoretical characterization of the lowest-energy absorption band of pyrrole
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- Contribution to journal › Article
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Mark
Electronic excited states of conjugated cyclic ketones and thioketones: A theoretical study
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- Contribution to journal › Article
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Mark
Electric dipole polarizabilities of the halogen atoms in P-2(1/2) and P-2(3/2) states: Scalar relativistic and two-component configuration-interaction calculations
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- Contribution to journal › Article
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Mark
The ammonia dimer equilibrium dissociation energy: convergence to the basis set limit at the correlated level
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- Contribution to journal › Article
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Mark
The restricted active space (RAS) state interaction approach with spin-orbit coupling
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- Contribution to journal › Article
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Mark
Toward an understanding of the Hofmeister effect: A computer game with dipoles and an ion
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- Contribution to journal › Article
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Mark
Theoretical study of the lowest B-1(U) states of trans-stilbene
2002) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 106(32). p.7355-7361(
- Contribution to journal › Article
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Mark
Restrained point-charge models for disaccharides
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- Contribution to journal › Article