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Journal of Computational Chemistry
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June 29, 2016
Torque and atomic forces for Cartesian tensor atomic multipoles with an application to crystal unit cell optimization
Dennis M Elking
Computer Physics Communications
|
December 6, 2011
HPAM: Hirshfeld Partitioned Atomic Multipoles
Dennis 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 molecules
Dennis M Elking, Laszlo Fusti-Molnar, Anthony Nichols
Journal of Computational Chemistry
|
September 15, 2010
Atomic forces for geometry-dependent point multipole and gaussian multipole models
Dennis 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 rank
Dennis 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 methods
Anthony M Reilly, Richard I Cooper, Claire S Adjiman, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Journal of Computational Chemistry
|
June 29, 2016
Torque and atomic forces for Cartesian tensor atomic multipoles with an application to crystal unit cell optimization
Dennis M Elking
Computer Physics Communications
|
December 6, 2011
HPAM: Hirshfeld Partitioned Atomic Multipoles
Dennis 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 molecules
Dennis M Elking, Laszlo Fusti-Molnar, Anthony Nichols
Journal of Computational Chemistry
|
September 15, 2010
Atomic forces for geometry-dependent point multipole and gaussian multipole models
Dennis 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 rank
Dennis 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 methods
Anthony M Reilly, Richard I Cooper, Claire S Adjiman, et al.
Page
of 1