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Paul Geerlings

Showing results (91-100 of 165) with videos related to

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Molecules (Basel, Switzerland)|June 6, 2018
Aromaticity as a Guiding Concept for Spectroscopic Features and Nonlinear Optical Properties of PorphyrinoidsTatiana Woller, Paul Geerlings, Frank De Proft, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|September 1, 2007
Can electrophilicity act as a measure of the redox potential of first-row transition metal ions?Jan Moens, Goedele Roos, Pablo Jaque, et al.
The Journal of Physical Chemistry. A|January 9, 2010
Alternative Kullback-Leibler information entropy for enantiomersSara Janssens, Patrick Bultinck, Alex Borgoo, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|August 2, 2008
Do the local softness and hardness indicate the softest and hardest regions of a molecule?Miquel Torrent-Sucarrat, Frank De Proft, Paul Geerlings, et al.
The Journal of Physical Chemistry. A|November 4, 2008
Intrinsic nucleofugality scale within the framework of density functional reactivity theoryLies Broeckaert, Jan Moens, Goedele Roos, et al.
The Journal of Physical Chemistry. A|April 14, 2006
Study of molecular quantum similarity of enantiomers of amino acidsGreet Boon, Christian Van Alsenoy, Frank De Proft, et al.
The Journal of Physical Chemistry. B|July 30, 2010
Energy levels and redox properties of aqueous Mn(2+/3+) from photoemission spectroscopy and density functional molecular dynamics simulationJan Moens, Robert Seidel, Paul Geerlings, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 9, 2017
Conceptual Insights into DFT Spin-State Energetics of Octahedral Transition-Metal Complexes through a Density Difference AnalysisBalazs Pinter, Artiom Chankisjijev, Paul Geerlings, et al.
Journal of Computational Chemistry|November 11, 2017
Characterization of chalcogen bonding interactions via an in-depth conceptual quantum chemical analysisFreija De Vleeschouwer, Mats Denayer, Balazs Pinter, et al.
Physical Chemistry Chemical Physics : PCCP|October 25, 2019
Exploring chemical space with alchemical derivatives: alchemical transformations of H through Ar and their ions as a proof of conceptRobert Balawender, Michael Lesiuk, Frank De Proft, et al.
Pageof 17

Showing results (91-100 of 165) with videos related to

Sort By:
Pageof 17
Molecules (Basel, Switzerland)|June 6, 2018
Aromaticity as a Guiding Concept for Spectroscopic Features and Nonlinear Optical Properties of PorphyrinoidsTatiana Woller, Paul Geerlings, Frank De Proft, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|September 1, 2007
Can electrophilicity act as a measure of the redox potential of first-row transition metal ions?Jan Moens, Goedele Roos, Pablo Jaque, et al.
The Journal of Physical Chemistry. A|January 9, 2010
Alternative Kullback-Leibler information entropy for enantiomersSara Janssens, Patrick Bultinck, Alex Borgoo, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|August 2, 2008
Do the local softness and hardness indicate the softest and hardest regions of a molecule?Miquel Torrent-Sucarrat, Frank De Proft, Paul Geerlings, et al.
The Journal of Physical Chemistry. A|November 4, 2008
Intrinsic nucleofugality scale within the framework of density functional reactivity theoryLies Broeckaert, Jan Moens, Goedele Roos, et al.
The Journal of Physical Chemistry. A|April 14, 2006
Study of molecular quantum similarity of enantiomers of amino acidsGreet Boon, Christian Van Alsenoy, Frank De Proft, et al.
The Journal of Physical Chemistry. B|July 30, 2010
Energy levels and redox properties of aqueous Mn(2+/3+) from photoemission spectroscopy and density functional molecular dynamics simulationJan Moens, Robert Seidel, Paul Geerlings, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 9, 2017
Conceptual Insights into DFT Spin-State Energetics of Octahedral Transition-Metal Complexes through a Density Difference AnalysisBalazs Pinter, Artiom Chankisjijev, Paul Geerlings, et al.
Journal of Computational Chemistry|November 11, 2017
Characterization of chalcogen bonding interactions via an in-depth conceptual quantum chemical analysisFreija De Vleeschouwer, Mats Denayer, Balazs Pinter, et al.
Physical Chemistry Chemical Physics : PCCP|October 25, 2019
Exploring chemical space with alchemical derivatives: alchemical transformations of H through Ar and their ions as a proof of conceptRobert Balawender, Michael Lesiuk, Frank De Proft, et al.
Pageof 17