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Dennis M Elking

Showing results (1-10 of 7) with videos related to

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Journal of Computational Chemistry|June 29, 2016
Torque and atomic forces for Cartesian tensor atomic multipoles with an application to crystal unit cell optimizationDennis M Elking
Computer Physics Communications|December 6, 2011
HPAM: Hirshfeld Partitioned Atomic MultipolesDennis M Elking, Lalith Perera, Lee G Pedersen
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|August 4, 2016
Crystal structure prediction of rigid moleculesDennis M Elking, Laszlo Fusti-Molnar, Anthony Nichols
Journal of Computational Chemistry|September 15, 2010
Atomic forces for geometry-dependent point multipole and gaussian multipole modelsDennis M Elking, Lalith Perera, Robert Duke, et al.
Journal of Computational Chemistry|September 15, 2011
A finite field method for calculating molecular polarizability tensors for arbitrary multipole rankDennis M Elking, Lalith Perera, Robert Duke, et al.
Journal of Chemical Theory and Computation|March 9, 2010
Gaussian Multipole Model (GMM)Dennis M Elking, G Andrés Cisneros, Jean-Philip Piquemal, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|August 4, 2016
Report on the sixth blind test of organic crystal structure prediction methodsAnthony M Reilly, Richard I Cooper, Claire S Adjiman, et al.
Pageof 1

Showing results (1-10 of 7) with videos related to

Sort By:
Pageof 1
Journal of Computational Chemistry|June 29, 2016
Torque and atomic forces for Cartesian tensor atomic multipoles with an application to crystal unit cell optimizationDennis M Elking
Computer Physics Communications|December 6, 2011
HPAM: Hirshfeld Partitioned Atomic MultipolesDennis M Elking, Lalith Perera, Lee G Pedersen
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|August 4, 2016
Crystal structure prediction of rigid moleculesDennis M Elking, Laszlo Fusti-Molnar, Anthony Nichols
Journal of Computational Chemistry|September 15, 2010
Atomic forces for geometry-dependent point multipole and gaussian multipole modelsDennis M Elking, Lalith Perera, Robert Duke, et al.
Journal of Computational Chemistry|September 15, 2011
A finite field method for calculating molecular polarizability tensors for arbitrary multipole rankDennis M Elking, Lalith Perera, Robert Duke, et al.
Journal of Chemical Theory and Computation|March 9, 2010
Gaussian Multipole Model (GMM)Dennis M Elking, G Andrés Cisneros, Jean-Philip Piquemal, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|August 4, 2016
Report on the sixth blind test of organic crystal structure prediction methodsAnthony M Reilly, Richard I Cooper, Claire S Adjiman, et al.
Pageof 1