Collectivity in ionic liquids: a temperature dependent, polarizable molecular dynamics studyPHYSICAL CHEMISTRY CHEMICAL PHYSICSIF2.92022-01-015OA
The nuclear Overhauser Effect (NOE) as a tool to study macromolecular confinement: Elucidation and disentangling of crowding and encapsulation effectsJOURNAL OF CHEMICAL PHYSICSIF3.12020-01-131OAAI
Computational spectroscopy of trehalose, sucrose, maltose, and glucose: A comprehensive study of TDSS, NQR NOE, and DRSJOURNAL OF CHEMICAL PHYSICSIF3.12019-05-0710OAAI
Molecular dynamics simulation of aqueous 1-dodecyl-3-methylimidazolium chloride: Emerging micellesJOURNAL OF MOLECULAR LIQUIDSIF5.22018-12-0111PREAI
A shell-resolved analysis of preferential solvation of coffee ingredients in aqueous mixtures of the ionic liquid 1-ethyl-3-methylimidazolium acetateJOURNAL OF CHEMICAL PHYSICSIF3.12018-02-0716PREAI
A computational component analysis of dielectric relaxation and THz spectra of water/AOT reverse micelles with different water loadingJOURNAL OF CHEMICAL PHYSICSIF3.12016-12-0615PREAI
On the collective network of ionic liquid/water mixtures. IV. Kinetic and rotational depolarizationJOURNAL OF CHEMICAL PHYSICSIF3.12014-05-2711OAAI
Pair dynamics and the intermolecular nuclear Overhauser effect (NOE) in liquids analysed by simulation and model theories: Application to an ionic liquidJOURNAL OF CHEMICAL PHYSICSIF3.12014-05-0927PREAI
Transport and dielectric properties of water and the influence of coarse-graining: Comparing BMW, SPC/E, and TIP3P modelsJOURNAL OF CHEMICAL PHYSICSIF3.12014-02-1260PREAI
The effect of Thole functions on the simulation of ionic liquids with point induced dipoles at various densitiesJOURNAL OF CHEMICAL PHYSICSIF3.12013-05-3121PREAI
Polarization effects on the solvation dynamics of coumarin C153 in ionic liquids: Components and their cross-correlationsJOURNAL OF CHEMICAL PHYSICSIF3.12013-05-3030PREAI
Computational studies of ionic liquids: Size does matter and time tooJOURNAL OF CHEMICAL PHYSICSIF3.12012-09-0469PREAI
Hydrated Ionic Liquids with and without Solute: The Influence of Water Content and Protein SolutesJOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52012-06-2047PREAI
Simulating polarizable molecular ionic liquids with Drude oscillatorsJOURNAL OF CHEMICAL PHYSICSIF3.12010-10-20108OAAI
Global and local Voronoi analysis of solvation shells of proteinsJOURNAL OF CHEMICAL PHYSICSIF3.12010-08-3117PREAI
Using fit functions in computational dielectric spectroscopyJOURNAL OF CHEMICAL PHYSICSIF3.12010-06-2856OA
Relaxation of Voronoi shells in hydrated molecular ionic liquidsJOURNAL OF CHEMICAL PHYSICSIF3.12009-11-0633OAAI
On the dielectric conductivity of molecular ionic liquidsJOURNAL OF CHEMICAL PHYSICSIF3.12009-09-1661PREAI
On the collective network of ionic liquid/water mixtures. III. Structural analysis of ionic liquids on the basis of Voronoi decompositionJOURNAL OF CHEMICAL PHYSICSIF3.12009-05-1848OAAI
On the collective network of ionic liquid/water mixtures. II. Decomposition and interpretation of dielectric spectraJOURNAL OF CHEMICAL PHYSICSIF3.12008-11-1093OAAI
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