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- 2002
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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 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
Titration of fatty acids solubilized in catonic, nonionic and anionic micelles: Theory and experiment.
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- Contribution to journal › Article
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Mark
Restrained point-charge models for disaccharides
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- Contribution to journal › Article
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Mark
Analysis of the relative stability of cis-urocanic acid in condensed phase. The use of Langevin dipoles
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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
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
Quantum chemical geometry optimizations in proteins using crystallographic raw data.
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- Contribution to journal › Article
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Mark
Theoretical study of the discrimination between O(2) and CO by myoglobin.
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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