Gunnar Karlström
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- 2007
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Mark
Hybrid Monte Carlo simulations of vertical electronic transitions in acetone in aqueous solution
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- Contribution to journal › Article
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Mark
Simulations of the absorption and fluorescence of indole in aqueous solution and at a nonpolar/polar interface
2007) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 111(42). p.10468-10477(
- Contribution to journal › Article
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Mark
Planar or nonplanar: What is the structure of urea in aqueous solution?
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- Contribution to journal › Article
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Mark
Accuracy of distributed multipoles and polarizabilities: Comparison between the LoProp and MpProp models
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- Contribution to journal › Article
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Mark
The charge capacity of the chemical bond
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- Contribution to journal › Article
- 2006
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Mark
Comparison of overlap-based models for approximating the exchange-repulsion energy
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- Contribution to journal › Article
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Mark
A theoretical study of the solvent shift to the n -> pi* transition in formaldehyde with an effective discrete quantum chemical solvent model including non-electrostatic perturbation
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- Contribution to journal › Article
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Mark
pi* -> n fluorescence transition in formaldehyde in aqueous solution: A combined quantum chemical statistical mechanical study
2006) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 110(5). p.1934-1942(
- Contribution to journal › Article
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Mark
Combined quantum chemical statistical mechanical simulations of Mg2+, Ca2+ and Sr2+ in water
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- Contribution to journal › Article
- 2005
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Mark
On the solvation of ions in small water droplets
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- Contribution to journal › Article