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David J Tozer

Showing results (31-40 of 62) with videos related to

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Journal of Chemical Theory and Computation|November 22, 2015
Assessment of Tuning Methods for Enforcing Approximate Energy Linearity in Range-Separated Hybrid FunctionalsJonathan D Gledhill, Michael J G Peach, David J Tozer
The Journal of Chemical Physics|July 7, 2007
Modeling the adiabatic connection in H2Michael J G Peach, Andrew M Teale, David J Tozer
Physical Chemistry Chemical Physics : PCCP|November 9, 2007
On the position of the potential wall in DFT temporary anion calculationsNick Sablon, Frank De Proft, Paul Geerlings, et al.
Physical Chemistry Chemical Physics : PCCP|May 8, 2009
Confinement effects on excitation energies and regioselectivity as probed by the Fukui function and the molecular electrostatic potentialAlex Borgoo, David J Tozer, Paul Geerlings, et al.
Physical Chemistry Chemical Physics : PCCP|December 12, 2018
Photoelectron spectroscopic study of I<sup>-</sup>·ICF<sub>3</sub>: a frontside attack S<sub>N</sub>2 pre-reaction complexGolda Mensa-Bonsu, David J Tozer, Jan R R Verlet
Faraday Discussions|March 3, 2007
Calculation of negative electron affinity and aqueous anion hardness using kohn-Sham HOMO and LUMO energiesFrank De Proft, Nick Sablon, David J Tozer, et al.
The Journal of Chemical Physics|December 7, 2023
On the description of conical intersections between excited electronic states with LR-TDDFT and ADC(2)Jack T Taylor, David J Tozer, Basile F E Curchod
Physical Chemistry Chemical Physics : PCCP|November 6, 2009
Time-dependent density functional theory calculations of near-edge X-ray absorption fine structure with short-range corrected functionalsNicholas A Besley, Michael J G Peach, David J Tozer
The Journal of Chemical Physics|February 6, 2008
Excitation energies in density functional theory: an evaluation and a diagnostic testMichael J G Peach, Peter Benfield, Trygve Helgaker, et al.
The Journal of Chemical Physics|April 17, 2012
On the evaluation of the non-interacting kinetic energy in density functional theoryMichael J G Peach, David G J Griffiths, David J Tozer
Pageof 7

Showing results (31-40 of 62) with videos related to

Sort By:
Pageof 7
Journal of Chemical Theory and Computation|November 22, 2015
Assessment of Tuning Methods for Enforcing Approximate Energy Linearity in Range-Separated Hybrid FunctionalsJonathan D Gledhill, Michael J G Peach, David J Tozer
The Journal of Chemical Physics|July 7, 2007
Modeling the adiabatic connection in H2Michael J G Peach, Andrew M Teale, David J Tozer
Physical Chemistry Chemical Physics : PCCP|November 9, 2007
On the position of the potential wall in DFT temporary anion calculationsNick Sablon, Frank De Proft, Paul Geerlings, et al.
Physical Chemistry Chemical Physics : PCCP|May 8, 2009
Confinement effects on excitation energies and regioselectivity as probed by the Fukui function and the molecular electrostatic potentialAlex Borgoo, David J Tozer, Paul Geerlings, et al.
Physical Chemistry Chemical Physics : PCCP|December 12, 2018
Photoelectron spectroscopic study of I<sup>-</sup>·ICF<sub>3</sub>: a frontside attack S<sub>N</sub>2 pre-reaction complexGolda Mensa-Bonsu, David J Tozer, Jan R R Verlet
Faraday Discussions|March 3, 2007
Calculation of negative electron affinity and aqueous anion hardness using kohn-Sham HOMO and LUMO energiesFrank De Proft, Nick Sablon, David J Tozer, et al.
The Journal of Chemical Physics|December 7, 2023
On the description of conical intersections between excited electronic states with LR-TDDFT and ADC(2)Jack T Taylor, David J Tozer, Basile F E Curchod
Physical Chemistry Chemical Physics : PCCP|November 6, 2009
Time-dependent density functional theory calculations of near-edge X-ray absorption fine structure with short-range corrected functionalsNicholas A Besley, Michael J G Peach, David J Tozer
The Journal of Chemical Physics|February 6, 2008
Excitation energies in density functional theory: an evaluation and a diagnostic testMichael J G Peach, Peter Benfield, Trygve Helgaker, et al.
The Journal of Chemical Physics|April 17, 2012
On the evaluation of the non-interacting kinetic energy in density functional theoryMichael J G Peach, David G J Griffiths, David J Tozer
Pageof 7