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Noncovalent Interactions in SIESTA Using the vdW-DF Functional: S22 Benchmark and Macrocyclic Structures.Benchmarking Calculated Lattice Parameters and Energies of Molecular Crystals Using van der Waals Density Functionals.Powder diffraction and crystal structure prediction identify four new coumarin polymorphs.The controlled disassembly of mesostructured perovskites as an avenue to fabricating high performance nanohybrid catalysts.The epitaxial growth of cholesterol crystals from bile solutions on calcite substrates.The interaction of EDTA with barium sulfate.Resorcinol Crystallization from the Melt: A New Ambient Phase and New "Riddles".Silver(I), gold(I) and palladium(II) complexes of a NHC-pincer ligand with an aminotriazine core: a comparison with pyridyl analogues.A Supramolecular Ice Growth Inhibitor.Structure, Energetics, and Dynamics of Screw Dislocations in Even n-Alkane Crystals.Can Point Defects in Surfaces in Solution be Atomically Resolved by Atomic Force Microscopy?Ab Initio Simulations of the (101) Surfaces of Potassium Dihydrogenphosphate (KDP)Adsorption energetics of potassium sulfate dye inclusion crystalsAtomistic modelling of gibbsite: surface structure and morphologyUnderstanding 2D atomic resolution imaging of the calcite surface in water by frequency modulation atomic force microscopyGDIS: a visualization program for molecular and periodic systemsChemical evolution via beta decay: a case study in strontium-90Properties of small clusters at ionic surfaces: (NaCl)n clusters (n=1-48) at the (100) MgO surfaceModel of scanning force microscopy on ionic surfacesComment on "Examination of spinel and nonspinel structural models for gamma-Al2O3 by DFT and Rietveld refinement simulations"Luminescent probes of crystal growth: surface charge and polar axis sense in dye-doped potassium hydrogen phthalateMolecular modeling of phosphonate molecules onto barium sulfate terraced surfacesAb Initio Molecular Dynamics Simulations of (101) Surfaces of Potassium DihydrogenphosphateTip dependence of three-dimensional scanning force microscopy images of calcite-water interfaces investigated by simulation and experiments
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P50
description
hulumtues
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researcher
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wetenschapper
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հետազոտող
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name
Andrew L Rohl
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Andrew L Rohl
@en
Andrew L Rohl
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Andrew L Rohl
@nl
Andrew L Rohl
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type
label
Andrew L Rohl
@ast
Andrew L Rohl
@en
Andrew L Rohl
@es
Andrew L Rohl
@nl
Andrew L Rohl
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prefLabel
Andrew L Rohl
@ast
Andrew L Rohl
@en
Andrew L Rohl
@es
Andrew L Rohl
@nl
Andrew L Rohl
@sl
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P21
P2456
P31
P496
0000-0003-0038-2785