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Journal of Chemical Theory and Computation
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November 21, 2015
Benchmarking Calculated Lattice Parameters and Energies of Molecular Crystals Using van der Waals Density Functionals
Damien J Carter, Andrew L Rohl
Journal of Chemical Theory and Computation
|
November 24, 2015
Noncovalent Interactions in SIESTA Using the vdW-DF Functional: S22 Benchmark and Macrocyclic Structures
Damien J Carter, Andrew L Rohl
Journal of Chemical Theory and Computation
|
November 25, 2015
Ab Initio Molecular Dynamics Simulations of (101) Surfaces of Potassium Dihydrogenphosphate
Damien J Carter, Andrew L Rohl
The Journal of Physical Chemistry. B
|
October 13, 2006
Comment on "Examination of spinel and nonspinel structural models for gamma-Al2O3 by DFT and Rietveld refinement simulations"
Gianluca Paglia, C E Buckley, Andrew L Rohl
The Journal of Physical Chemistry. B
|
April 8, 2006
Molecular modeling of phosphonate molecules onto barium sulfate terraced surfaces
Franca Jones, William R Richmond, Andrew L Rohl
Journal 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 Gale
Scientific Reports
|
November 28, 2017
Atomistic simulation of the measurement of mechanical properties of gold nanorods by AFM
Bernhard Reischl, Andrew L Rohl, Antti Kuronen, et al.
Journal of the American Chemical Society
|
February 22, 2013
Twisted aspirin crystals
Xiaoyan Cui, Andrew L Rohl, Alexander Shtukenberg, 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.
Journal of the American Chemical Society
|
June 24, 2004
The epitaxial growth of cholesterol crystals from bile solutions on calcite substrates
M Crina Frincu, Sean D Fleming, Andrew L Rohl, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 25) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
November 21, 2015
Benchmarking Calculated Lattice Parameters and Energies of Molecular Crystals Using van der Waals Density Functionals
Damien J Carter, Andrew L Rohl
Journal of Chemical Theory and Computation
|
November 24, 2015
Noncovalent Interactions in SIESTA Using the vdW-DF Functional: S22 Benchmark and Macrocyclic Structures
Damien J Carter, Andrew L Rohl
Journal of Chemical Theory and Computation
|
November 25, 2015
Ab Initio Molecular Dynamics Simulations of (101) Surfaces of Potassium Dihydrogenphosphate
Damien J Carter, Andrew L Rohl
The Journal of Physical Chemistry. B
|
October 13, 2006
Comment on "Examination of spinel and nonspinel structural models for gamma-Al2O3 by DFT and Rietveld refinement simulations"
Gianluca Paglia, C E Buckley, Andrew L Rohl
The Journal of Physical Chemistry. B
|
April 8, 2006
Molecular modeling of phosphonate molecules onto barium sulfate terraced surfaces
Franca Jones, William R Richmond, Andrew L Rohl
Journal 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 Gale
Scientific Reports
|
November 28, 2017
Atomistic simulation of the measurement of mechanical properties of gold nanorods by AFM
Bernhard Reischl, Andrew L Rohl, Antti Kuronen, et al.
Journal of the American Chemical Society
|
February 22, 2013
Twisted aspirin crystals
Xiaoyan Cui, Andrew L Rohl, Alexander Shtukenberg, 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.
Journal of the American Chemical Society
|
June 24, 2004
The epitaxial growth of cholesterol crystals from bile solutions on calcite substrates
M Crina Frincu, Sean D Fleming, Andrew L Rohl, et al.
Page
of 3