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- 2006
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Mark
Ab initio potential-energy surface and rovibrational states of the HCN-HCl complex
(
- Contribution to journal › Article
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Mark
Surface forces in solutions containing semiflexible polymers
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- Contribution to journal › Article
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Surface transition in athermal polymer solutions
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- Contribution to journal › Letter
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Fast noniterative orbital localization for large molecules
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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
(
- Contribution to journal › Article
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Mark
Repulsion between oppositely charged surfaces in multivalent electrolytes
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- Contribution to journal › Article
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Mark
Surface forces in solutions containing rigid polymers: Approaching the rod limit
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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
Interpretation of EXAFS spectra for sitting-atop complexes with the help of computational methods
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- Contribution to journal › Article
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A theoretical study of singlet low-energy excited states of the benzene dimer
(
- Contribution to journal › Article