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Journal of Chemical Theory and Computation|November 21, 2015
Benchmarking Calculated Lattice Parameters and Energies of Molecular Crystals Using van der Waals Density FunctionalsDamien J Carter, Andrew L RohlJournal of Chemical Theory and Computation|November 24, 2015
Noncovalent Interactions in SIESTA Using the vdW-DF Functional: S22 Benchmark and Macrocyclic StructuresDamien J Carter, Andrew L RohlJournal of Chemical Theory and Computation|November 25, 2015
Ab Initio Molecular Dynamics Simulations of (101) Surfaces of Potassium DihydrogenphosphateDamien J Carter, Andrew L RohlJournal of Chemical Theory and Computation|December 3, 2015
Ab Initio Simulations of the (101) Surfaces of Potassium Dihydrogenphosphate (KDP)Damien J Carter, Andrew L Rohl, Julian D GaleDalton Transactions (Cambridge, England : 2003)|December 18, 2015
Silver(I), gold(I) and palladium(II) complexes of a NHC-pincer ligand with an aminotriazine core: a comparison with pyridyl analoguesJamila Vaughan, Damien J Carter, Andrew L Rohl, et al.The Journal of Physical Chemistry. B|April 8, 2006
Molecular modeling of phosphonate molecules onto barium sulfate terraced surfacesFranca Jones, William R Richmond, Andrew L RohlScientific Reports|November 28, 2017
Atomistic simulation of the measurement of mechanical properties of gold nanorods by AFMBernhard Reischl, Andrew L Rohl, Antti Kuronen, et al.Journal of the American Chemical Society|February 22, 2013
Twisted aspirin crystalsXiaoyan Cui, Andrew L Rohl, Alexander Shtukenberg, et al.Chemical Science|September 30, 2017
Powder diffraction and crystal structure prediction identify four new coumarin polymorphsAlexander G Shtukenberg, Qiang Zhu, Damien J Carter, et al.Physical Review Letters|December 8, 2016
Can Point Defects in Surfaces in Solution be Atomically Resolved by Atomic Force Microscopy?Bernhard Reischl, Paolo Raiteri, Julian D Gale, et al.Pageof 3