Computational Chemistry
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- 2010
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Mark
Limitations of the Derjaguin approximation and the Lorentz-Berthelot mixing rule.
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- Contribution to journal › Article
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Mark
Basis set representation of the electron density at an atomic nucleus
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- Contribution to journal › Article
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Mark
Simulations of high-dielectric Stockmayer fluids in hyperspherical geometry.
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- Contribution to journal › Article
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Mark
pK(a) Values for the Unfolded State under Native Conditions Explain the pH-Dependent Stability of PGB1.
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- Contribution to journal › Article
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Mark
Ca/Na Montmorillonite: Structure, Forces and Swelling Properties.
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- Contribution to journal › Article
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Mark
Retardation effects breaking long-range orientational ordering in dipolar fluids.
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- Contribution to journal › Article
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Mark
Bonding Trends in Molecular Compounds of Lanthanides: The Double-Bonded Carbene Cations LnCH(2) (+) (Ln=Sc, Y, La-Lu).
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- Contribution to journal › Article
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Mark
Multireference calculations on the chemical origin and mechanism of firefly bioluminescence
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- Contribution to journal › Published meeting abstract
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Mark
Bulk simulation of polar liquids in spherical symmetry.
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- Contribution to journal › Article
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Mark
On the Analysis of the Cr-Cr Multiple Bond in Several Classes of Dichromium Compounds
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- Contribution to journal › Article