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- 2019
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Mark
Structure and spectrum of the hydrated electron. A combined quantum chemical statistical mechanical simulation
(
- Contribution to journal › Article
- 2016
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Mark
Method for Slater-Type Density Fitting for Intermolecular Electrostatic Interactions with Charge Overlap. I. the Model
(
- Contribution to journal › Article
- 2009
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Mark
Aqueous solvent effects on structure and lowest electronic transition of methylene peroxide in an explicit solvent model
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- Contribution to journal › Article
- 2008
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Mark
Accuracy of typical approximations in classical models of intermolecular polarization
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- Contribution to journal › Article
- 2007
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Mark
Many-body polarization, a cause of asymmetric solvation of ions and quadrupoles
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- Contribution to journal › Article
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Mark
Theoretical predictions of the coordination of water to the polar headgroup of dimethyldodecylamine-N-oxide
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- Contribution to journal › Article
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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
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
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
- 2006
-
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
(
- Contribution to journal › Article