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P W Ayers

Showing results (1-10 of 13) with videos related to

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Proceedings of the National Academy of Sciences of the United States of America|February 26, 2000
Density per particle as a descriptor of Coulombic systemsP W Ayers
Journal of the American Academy of Dermatology|January 28, 1999
Physician, heed thy shelfE F Sherertz, P W Ayers
Journal of the American Chemical Society|July 18, 2001
Variational principles for describing chemical reactions. Reactivity indices based on the external potentialP W Ayers, R G Parr
The Journal of Chemical Physics|November 23, 2015
Communication: Kohn-Sham theory for excited states of Coulomb systemsP W Ayers, M Levy, Á Nagy
The Journal of Chemical Physics|June 24, 2010
Nonuniqueness of magnetic fields and energy derivatives in spin-polarized density functional theoryT Gál, P W Ayers, F De Proft, et al.
Journal of Chemical Theory and Computation|November 20, 2015
Hirshfeld-E Partitioning: AIM Charges with an Improved Trade-off between Robustness and Accurate ElectrostaticsT Verstraelen, P W Ayers, V Van Speybroeck, et al.
The Journal of Chemical Physics|March 1, 2013
ACKS2: atom-condensed Kohn-Sham DFT approximated to second orderT Verstraelen, P W Ayers, V Van Speybroeck, et al.
The Journal of Chemical Physics|July 23, 2004
On the importance of the "density per particle" (shape function) in the density functional theoryF De Proft, P W Ayers, K D Sen, et al.
Physical Chemistry Chemical Physics : PCCP|January 23, 2010
On the applicability of local softness and hardnessM Torrent-Sucarrat, F De Proft, P W Ayers, et al.
Journal of Chemical Theory and Computation|December 4, 2015
The Gradient Curves Method:  An Improved Strategy for the Derivation of Molecular Mechanics Valence Force Fields from ab Initio DataT Verstraelen, D Van Neck, P W Ayers, et al.
Pageof 2

Showing results (1-10 of 13) with videos related to

Sort By:
Pageof 2
Proceedings of the National Academy of Sciences of the United States of America|February 26, 2000
Density per particle as a descriptor of Coulombic systemsP W Ayers
Journal of the American Academy of Dermatology|January 28, 1999
Physician, heed thy shelfE F Sherertz, P W Ayers
Journal of the American Chemical Society|July 18, 2001
Variational principles for describing chemical reactions. Reactivity indices based on the external potentialP W Ayers, R G Parr
The Journal of Chemical Physics|November 23, 2015
Communication: Kohn-Sham theory for excited states of Coulomb systemsP W Ayers, M Levy, Á Nagy
The Journal of Chemical Physics|June 24, 2010
Nonuniqueness of magnetic fields and energy derivatives in spin-polarized density functional theoryT Gál, P W Ayers, F De Proft, et al.
Journal of Chemical Theory and Computation|November 20, 2015
Hirshfeld-E Partitioning: AIM Charges with an Improved Trade-off between Robustness and Accurate ElectrostaticsT Verstraelen, P W Ayers, V Van Speybroeck, et al.
The Journal of Chemical Physics|March 1, 2013
ACKS2: atom-condensed Kohn-Sham DFT approximated to second orderT Verstraelen, P W Ayers, V Van Speybroeck, et al.
The Journal of Chemical Physics|July 23, 2004
On the importance of the "density per particle" (shape function) in the density functional theoryF De Proft, P W Ayers, K D Sen, et al.
Physical Chemistry Chemical Physics : PCCP|January 23, 2010
On the applicability of local softness and hardnessM Torrent-Sucarrat, F De Proft, P W Ayers, et al.
Journal of Chemical Theory and Computation|December 4, 2015
The Gradient Curves Method:  An Improved Strategy for the Derivation of Molecular Mechanics Valence Force Fields from ab Initio DataT Verstraelen, D Van Neck, P W Ayers, et al.
Pageof 2