Computational Chemistry
1021 – 1030 of 1095
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- 2002
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Mark
On the influence of dielectric saturation and medium granularity on ion-ion interaction and reorganization energies associated with electron-transfer processes in condensed matter
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- Contribution to journal › Article
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Mark
A coupled cluster response study of the electric dipole polarizability, first and second hyperpolarizabilities of HCl
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- Contribution to journal › Article
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Mark
Quantum chemical geometry optimizations in proteins using crystallographic raw data.
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- Contribution to journal › Article
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Mark
Restrained point-charge models for disaccharides
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- Contribution to journal › Article
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Mark
Theoretical study of the discrimination between O(2) and CO by myoglobin.
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- Contribution to journal › Article
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Mark
Toward an understanding of the Hofmeister effect: A computer game with dipoles and an ion
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- Contribution to journal › Article
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Mark
Titration of fatty acids solubilized in catonic, nonionic and anionic micelles: Theory and experiment.
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- Contribution to journal › Article
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Mark
Analysis of the relative stability of cis-urocanic acid in condensed phase. The use of Langevin dipoles
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- Contribution to journal › Article
- 2001
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Mark
Structure, strain, and reorganization energy of blue copper models in the protein
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- Contribution to journal › Article
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Mark
Inner-sphere reorganization energy of iron-sulfur clusters studied with theoretical methods
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- Contribution to journal › Article