Computational Chemistry
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- 2003
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Mark
The ground state potential for the chromium dimer revisited.
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- Contribution to journal › Article
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The ground state and electronic spectrum of CUO - a mystery.
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- Contribution to journal › Article
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A theoretical investigation of valence and Rydberg electronic states of acrolein
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- Contribution to journal › Article
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An improved density functional description of hard sphere polymer fluids at low density.
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- Contribution to journal › Article
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Mark
A theoretical analysis of the excited states in 2-benzoylthiophene.
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- Contribution to journal › Article
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Mark
On the electric field gradient induced birefringence and electric quadrupole moment of CO, N2O, and OCS.
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- Contribution to journal › Article
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Mark
Density functional studies of solvation forces in hard sphere polymer solutions confined between adsorbing walls. I. Solvent effects and dependence on surface potential range.
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- Contribution to journal › Article
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Mark
A Mesoscopic Model for Protein-Protein Interactions in Solution
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- Contribution to journal › Article
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Mark
An accurate quartic force field and fundamental frequencies for the ozonide anion.
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- Contribution to journal › Article
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Comparison of the chemical properties of iron and cobalt porphyrins and corrins.
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- Contribution to journal › Article