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Journal of Chemical Theory and Computation
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December 1, 2015
Implementation and Performance of DFT-D with Respect to Basis Set and Functional for Study of Dispersion Interactions in Nanoscale Aromatic Hydrocarbons
Roberto Peverati, Kim K Baldridge
Physical Chemistry Chemical Physics : PCCP
|
April 21, 2015
DFT-based Green's function pathways model for prediction of bridge-mediated electronic coupling
Laura Berstis, Kim K Baldridge
Journal of Chemical Theory and Computation
|
December 4, 2015
Implementation and Optimization of DFT-D/COSab with Respect to Basis Set and Functional: Application to Polar Processes of Furfural Derivatives in Solution
Roberto Peverati, Kim K Baldridge
Journal of Chemical Theory and Computation
|
December 2, 2015
Implementation and Performance of DFT-D with Respect to Basis Set and Functional for Study of Dispersion Interactions in Nanoscale Aromatic Hydrocarbons
Roberto Peverati, Kim K Baldridge
Journal of Chemical Theory and Computation
|
May 25, 2017
Dispersion-Corrected Spin-Component-Scaled Double-Hybrid Density Functional Theory: Implementation and Performance for Non-covalent Interactions
Loïc M Roch, Kim K Baldridge
Journal of the American Chemical Society
|
May 9, 2002
Directing power of cyclobutenoid annelations on the double bonds of planar cyclooctatetraenes
Kim K Baldridge, Jay S Siegel
Angewandte Chemie (International Ed. in English)
|
April 18, 2013
Of graphs and graphenes: molecular design and chemical studies of aromatic compounds
Kim K Baldridge, Jay S Siegel
Physical Chemistry Chemical Physics : PCCP
|
September 21, 2017
General optimization procedure towards the design of a new family of minimal parameter spin-component-scaled double-hybrid density functional theory
Loïc M Roch, Kim K Baldridge
Journal of Chemical Theory and Computation
|
November 21, 2015
Defined-Sector Explicit Solvent in Continuum Cluster Model for Computational Prediction of pKa: Consideration of Secondary Functionality and Higher Degree of Solvation
Rebecca A Abramson, Kim K Baldridge
Physical Chemistry Chemical Physics : PCCP
|
January 31, 2018
Correction: General optimization procedure towards the design of a new family of minimal parameter spin-component-scaled double-hybrid density functional theory
Loïc M Roch, Kim K Baldridge
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of 12
Search research articles
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Showing results (1-10 of 111) with videos related to
Sort By:
Page
of 12
Journal of Chemical Theory and Computation
|
December 1, 2015
Implementation and Performance of DFT-D with Respect to Basis Set and Functional for Study of Dispersion Interactions in Nanoscale Aromatic Hydrocarbons
Roberto Peverati, Kim K Baldridge
Physical Chemistry Chemical Physics : PCCP
|
April 21, 2015
DFT-based Green's function pathways model for prediction of bridge-mediated electronic coupling
Laura Berstis, Kim K Baldridge
Journal of Chemical Theory and Computation
|
December 4, 2015
Implementation and Optimization of DFT-D/COSab with Respect to Basis Set and Functional: Application to Polar Processes of Furfural Derivatives in Solution
Roberto Peverati, Kim K Baldridge
Journal of Chemical Theory and Computation
|
December 2, 2015
Implementation and Performance of DFT-D with Respect to Basis Set and Functional for Study of Dispersion Interactions in Nanoscale Aromatic Hydrocarbons
Roberto Peverati, Kim K Baldridge
Journal of Chemical Theory and Computation
|
May 25, 2017
Dispersion-Corrected Spin-Component-Scaled Double-Hybrid Density Functional Theory: Implementation and Performance for Non-covalent Interactions
Loïc M Roch, Kim K Baldridge
Journal of the American Chemical Society
|
May 9, 2002
Directing power of cyclobutenoid annelations on the double bonds of planar cyclooctatetraenes
Kim K Baldridge, Jay S Siegel
Angewandte Chemie (International Ed. in English)
|
April 18, 2013
Of graphs and graphenes: molecular design and chemical studies of aromatic compounds
Kim K Baldridge, Jay S Siegel
Physical Chemistry Chemical Physics : PCCP
|
September 21, 2017
General optimization procedure towards the design of a new family of minimal parameter spin-component-scaled double-hybrid density functional theory
Loïc M Roch, Kim K Baldridge
Journal of Chemical Theory and Computation
|
November 21, 2015
Defined-Sector Explicit Solvent in Continuum Cluster Model for Computational Prediction of pKa: Consideration of Secondary Functionality and Higher Degree of Solvation
Rebecca A Abramson, Kim K Baldridge
Physical Chemistry Chemical Physics : PCCP
|
January 31, 2018
Correction: General optimization procedure towards the design of a new family of minimal parameter spin-component-scaled double-hybrid density functional theory
Loïc M Roch, Kim K Baldridge
Page
of 12