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- 2004
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Mark
Density functional study of surface forces in solutions containing star-shaped polymers
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- Contribution to journal › Article
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Polarizability and optical rotation calculated from the approximate coupled cluster singles and doubles CC2 linear response theory using Cholesky decompositions
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- Contribution to journal › Article
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Spin-orbit ab initio study of alkyl halide dissociation via electronic curve crossing
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- Contribution to journal › Article
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Local properties of quantum chemical systems: The LoProp approach
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- Contribution to journal › Article
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Mark
Evaluating the accuracy of a density functional theory of polymer solutions with additive hard sphere diameters
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- Contribution to journal › Article
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Mark
Study of the hydronium ion in water. A combined quantum chemical and statistical mechanical treatment
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- Contribution to journal › Article
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Mark
The n ->pi* electronic transition in microsolvated formaldehyde. A coupled cluster and combined coupled cluster/molecular mechanics study
2004) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 108(41). p.8624-8632(
- Contribution to journal › Article
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Mark
Oppositely charged polyelectrolytes. Complex formation and effects of chain asymmetry
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- Contribution to journal › Article
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Solvent effects on rotatory strength tensors. 1. Theory and application of the combined coupled cluster/dielectric continuum model
2004) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 108(16). p.3632-3641(
- Contribution to journal › Article
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Mark
Polarizabilities of small annulenes from Cholesky CC2 linear response theory
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- Contribution to journal › Article