Computational Chemistry
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- 2007
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Simulations and density functional calculations of surface forces in the presence of semiflexible polymers
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- Contribution to journal › Article
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Interactions between charged surfaces immersed in a polyelectrolyte solution
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- Contribution to journal › Article
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Spin-orbit ab initio investigation of the ultraviolet photolysis of diiodomethane
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- Contribution to journal › Article
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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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Unbiased auxiliary basis sets for accurate two-electron integral approximations
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- Contribution to journal › Article
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Repulsion between oppositely charged macromolecules or particles
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- Contribution to journal › Article
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Calculation of EPR g tensors for transition-metal complexes based on multiconfigurational perturbation theory (CASPT2)
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- Contribution to journal › Article
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Implications of a high dielectric constant in proteins
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- Contribution to journal › Article
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Infrared spectrum and bonding in uranium methylidene dihydride, CH2=UH2
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- Contribution to journal › Article
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Basic statistics and variational concepts behind the reverse Monte Carlo technique
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- Contribution to journal › Article