Physical and theoretical chemistry
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- 2008
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Mark
Proton transfer at metal sites in proteins studied by quantum mechanical free-energy perturbations
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- Contribution to journal › Article
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Mark
On the accuracy of density functional theory to predict shifts in nuclear magnetic resonance shielding constants due to hydrogen bonding
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- Contribution to journal › Article
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Mark
Exact density functional theory for ideal polymer fluids with nearest neighbor bonding constraints
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- Contribution to journal › Article
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Mark
Water Dissociation on Single Crystalline Anatase TiO2(001) Studied by Photoelectron Spectroscopy
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- Contribution to journal › Article
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Mark
Analytic derivatives for the Cholesky representation of the two-electron integrals.
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- Contribution to journal › Article
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Mark
Reaction of [Ru-3(CO)(12)] with tri(2-furyl)phosphine: Di- and tri-substituted triruthenium and phosphido-bridged diruthenium complexes
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- Contribution to journal › Article
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Mark
Proceedings of the 7th Liquid Matter Conference (Lund, Sweden, 27 June-1 July 2008) PREFACE
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- Contribution to journal › Debate/Note/Editorial
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Mark
Ab initio investigation on the chemical origin of the firefly bioluminescence
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- Contribution to journal › Article
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Mark
Determinants for Membrane Fusion Induced by Cholesterol-Modified DNA Zippers.
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- Contribution to journal › Article
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Mark
Metal-like heat conduction in laser-excited InSb probed by picosecond time-resolved x-ray diffraction
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- Contribution to journal › Article