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- 2002
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Mark
A theoretical study of the 2(1)A(g)
(
- Contribution to journal › Article
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Mark
Modulation of colloidal forces with polyampholytes
(
- Contribution to journal › Article
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Mark
Electric field gradients of water: A systematic investigation of basis set, electron correlation, and rovibrational effects
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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
Theoretical characterization of the lowest-energy absorption band of pyrrole
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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
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
The QM/MM approach for wavefunctions, energies and response functions within self-consistent field and coupled cluster theories
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- Contribution to journal › Article
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A linear response approach to second-order electronic transition intensities for multiconfigurational self-consistent field wave functions
(
- Contribution to journal › Article
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Mark
Polyampholyte-induced repulsion between charged surfaces: Monte Carlo simulation studies
(
- Contribution to journal › Article