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- 2009
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Mark
Do quantum mechanical energies calculated for small models of protein-active sites converge?
(
- Contribution to journal › Article
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Mark
Reaction Mechanism of Manganese Superoxide Dismutase Studied by Combined Quantum and Molecular Mechanical Calculations and Multiconfigurational Methods.
(
- Contribution to journal › Article
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Mark
Cobalamins uncovered by modern electronic structure calculations
(
- Contribution to journal › Scientific review
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Mark
Simulations of latex particles immersed in dendrimer solutions.
(
- Contribution to journal › Article
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Mark
Ion-Ion Correlation and Charge Reversal at Titrating Solid Interfaces
(
- Contribution to journal › Article
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Mark
Nondielectric long-range solvation of polar liquids in cubic symmetry
(
- Contribution to journal › Article
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Mark
An ab initio investigation of the mechanisms of photodissociation in bromobenzene and iodobenzene
(
- Contribution to journal › Article
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Mark
Ion binding to biomolecules
2009) p.217-230(
- Chapter in Book/Report/Conference proceeding › Book chapter
- 2008
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Mark
Like-charge attraction in a slit system: pressure components for the primitive model and molecular solvent simulations
(
- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding
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Mark
New Relativistic Atomic Natural Orbital Basis Sets for Lanthanide Atoms with Applications to the Ce Diatom and LuF3
2008) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 112(45). p.11431-11435(
- Contribution to journal › Article