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- 2003
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Mark
The water-hydroxyl radical complex: A matrix isolation study.
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- Contribution to journal › Article
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Mark
Study of the hydroxyl ion in water. A combined quantum chemical and statistical mechanical treatment.
2003) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 107(26). p.5217-5222(
- Contribution to journal › Article
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Mark
On the effective interaction between an ion and a hydrophobic particle in polar solvents. A step towards an understanding of the hofmeister effect?
(
- Contribution to journal › Article
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Mark
Inter- and intramolecular potential for the N-formylglycinamide-water system. A comparison between theoretical modeling and empirical force fields
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- Contribution to journal › Article
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Mark
On the influence of the basis set superposition error on calculated vibrational frequencies
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- Contribution to journal › Article
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Mark
Molcas: a program package for computational chemistry.
2003) Symposium on Software Development for Process and Materials Disign In Computational Materials Science 28(2). p.222-239(
- Contribution to journal › Article
- 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
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
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
Toward an understanding of the Hofmeister effect: A computer game with dipoles and an ion
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- Contribution to journal › Article