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Paul Geerlings

Showing results (1-10 of 165) with videos related to

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The Journal of Physical Chemistry. A|May 8, 2020
Autobiography of Paul GeerlingsPaul Geerlings
Pharmaceuticals (Basel, Switzerland)|September 23, 2022
From Density Functional Theory to Conceptual Density Functional Theory and BiosystemsPaul Geerlings
The Journal of Chemical Physics|January 6, 2006
Density-functional theory-based chemical reactivity indices in the Hartree-Fock method. I. Unrestricted Hartree-Fock method for a noninteger number of electronsRobert Balawender, Paul Geerlings
The Journal of Chemical Physics|January 6, 2006
DFT-based chemical reactivity indices in the Hartree-Fock method. II. Fukui function, chemical potential, and hardnessRobert Balawender, Paul Geerlings
Physical Chemistry Chemical Physics : PCCP|September 3, 2014
Pressure induced speciation changes in the aqueous Al³⁺ systemStuart Bogatko, Paul Geerlings
Physical Chemistry Chemical Physics : PCCP|November 27, 2010
Information carriers and (reading them through) information theory in quantum chemistryPaul Geerlings, Alex Borgoo
Physical Chemistry Chemical Physics : PCCP|May 10, 2012
Factors influencing Al(3+)-dimer speciation and stability from density functional theory calculationsStuart Bogatko, Paul Geerlings
The Journal of Chemical Physics|January 4, 2007
Analogies and differences between two ways to evaluate the global hardnessMiquel Torrent-Sucarrat, Paul Geerlings
Journal of Computational Chemistry|September 2, 2022
External fields in conceptual density functional theoryPaul Geerlings, Frank De Proft
The Journal of Physical Chemistry. A|March 13, 2024
Theoretical Study on the Regioselectivity of Leapfrog B<sub>18</sub> and B<sub>30</sub> Boron Sheets in Electrophilic and Nucleophilic Reactions Using DFT-Based Reactivity IndicesJules Tshishimbi Muya, Paul Geerlings
Pageof 17

Showing results (1-10 of 165) with videos related to

Sort By:
Pageof 17
The Journal of Physical Chemistry. A|May 8, 2020
Autobiography of Paul GeerlingsPaul Geerlings
Pharmaceuticals (Basel, Switzerland)|September 23, 2022
From Density Functional Theory to Conceptual Density Functional Theory and BiosystemsPaul Geerlings
The Journal of Chemical Physics|January 6, 2006
Density-functional theory-based chemical reactivity indices in the Hartree-Fock method. I. Unrestricted Hartree-Fock method for a noninteger number of electronsRobert Balawender, Paul Geerlings
The Journal of Chemical Physics|January 6, 2006
DFT-based chemical reactivity indices in the Hartree-Fock method. II. Fukui function, chemical potential, and hardnessRobert Balawender, Paul Geerlings
Physical Chemistry Chemical Physics : PCCP|September 3, 2014
Pressure induced speciation changes in the aqueous Al³⁺ systemStuart Bogatko, Paul Geerlings
Physical Chemistry Chemical Physics : PCCP|November 27, 2010
Information carriers and (reading them through) information theory in quantum chemistryPaul Geerlings, Alex Borgoo
Physical Chemistry Chemical Physics : PCCP|May 10, 2012
Factors influencing Al(3+)-dimer speciation and stability from density functional theory calculationsStuart Bogatko, Paul Geerlings
The Journal of Chemical Physics|January 4, 2007
Analogies and differences between two ways to evaluate the global hardnessMiquel Torrent-Sucarrat, Paul Geerlings
Journal of Computational Chemistry|September 2, 2022
External fields in conceptual density functional theoryPaul Geerlings, Frank De Proft
The Journal of Physical Chemistry. A|March 13, 2024
Theoretical Study on the Regioselectivity of Leapfrog B<sub>18</sub> and B<sub>30</sub> Boron Sheets in Electrophilic and Nucleophilic Reactions Using DFT-Based Reactivity IndicesJules Tshishimbi Muya, Paul Geerlings
Pageof 17