Collection
Topical Collection on the occasion of Prof. Tim Clark’s 65th birthday
Special Collection of articles celebrating the 65th birthday of Tim Clark. Guest edited by Christof Martin Jäger, Harald Lanig and Tatyana Shubina.
Articles (25 in this collection)
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Establishing conditions for simulating hydrophobic solutes in electric fields by molecular dynamics
Authors (first, second and last of 4)
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A computational study on 4,7-di(furan-2-yl)benzo[c][1,2,5]thiadiazole monomer and its oligomers
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Cα torsion angles as a flexible criterion to extract secrets from a molecular dynamics simulation
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Acidity in DMSO from the embedded cluster integral equation quantum solvation model
Authors (first, second and last of 4)
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Switching the conductance of a molecular junction using a proton transfer reaction
Authors (first, second and last of 6)
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Multipolar electrostatics based on the Kriging machine learning method: an application to serine
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A density functional theory study of paramagnetic cyclopentadienylcobalt(III) derivatives: fluoride versus cyanide
Authors (first, second and last of 5)
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Charge distribution analysis in \( {\mathbf{Ag}}_{\mathbf{n}}^{\mathbf{m}+} \)clusters: molecular modeling and DFT calculations
Authors (first, second and last of 5)
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UV–vis absorption spectrum of a novel Ru(II) complex intercalated in DNA: [Ru(2,2′-bipy)(dppz)(2,2′-ArPy)]+
Authors (first, second and last of 9)
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Quantum chemical investigations of the water exchange mechanism on [AlIII(H2O)5(L)]2+ as a function of the donor strength of the anionic L
Authors (first, second and last of 5)
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How well does cholesteryl hemisuccinate mimic cholesterol in saturated phospholipid bilayers?
Authors (first, second and last of 7)
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