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- 2002
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Mark
A theoretical study of the 2(1)A(g)
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- Contribution to journal › Article
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Mark
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
The QM/MM approach for wavefunctions, energies and response functions within self-consistent field and coupled cluster theories
(
- Contribution to journal › Article
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Mark
Theoretical characterization of the lowest-energy absorption band of pyrrole
(
- 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
(
- Contribution to journal › Article
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Mark
The restricted active space (RAS) state interaction approach with spin-orbit coupling
(
- Contribution to journal › Article
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Mark
The axial N-base has minor influence on Co-C bond cleavage in cobalamins
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- Contribution to journal › Article
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Mark
On the influence of dielectric saturation and medium granularity on ion-ion interaction and reorganization energies associated with electron-transfer processes in condensed matter
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- Contribution to journal › Article
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Mark
Quantum chemical geometry optimizations in proteins using crystallographic raw data.
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- Contribution to journal › Article
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Mark
Titration of fatty acids solubilized in catonic, nonionic and anionic micelles: Theory and experiment.
(
- Contribution to journal › Article