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Paul L A Popelier

Showing results (1-10 of 144) with videos related to

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Journal of Molecular Modeling|August 25, 2022
Non-covalent interactions from a Quantum Chemical Topology perspectivePaul L A Popelier
The Journal of Physical Chemistry. A|October 8, 2011
Fully analytical integration over the 3D volume bounded by the β sphere in topological atomsPaul L A Popelier
Journal of Computational Chemistry|January 12, 2018
A fully analytical integration of properties over the 3D volume of the β sphere in topological atomsPaul L A Popelier
The Journal of Physical Chemistry. A|January 6, 2023
Linking the Interatomic Exchange-Correlation Energy to Experimental <i>J</i>-Coupling ConstantsIbon Alkorta, Paul L A Popelier
The Journal of Physical Chemistry. B|March 6, 2009
Prediction of interaction energies of substituted hydrogen-bonded Watson-Crick cytosine:guanine(8X) base pairsChunxia Xue, Paul L A Popelier
Journal of the American Chemical Society|July 18, 2002
The elusive atomic rationale for DNA base pair stabilityPaul L A Popelier, Laurent Joubert
Carbohydrate Research|November 9, 2011
Computational study of mutarotation in erythrose and threoseIbon Alkorta, Paul L A Popelier
Bioorganic & Medicinal Chemistry Letters|April 2, 2008
Exploring predictive QSAR models for hepatocyte toxicity of phenols using QTMS descriptorsKunal Roy, Paul L A Popelier
The Journal of Physical Chemistry. B|April 1, 2008
Computational study of substituent effects on the interaction energies of hydrogen-bonded Watson-Crick cytosine: guanine base pairsChunxia Xue, Paul L A Popelier
Journal of Molecular Modeling|June 25, 2014
Spherical tensor multipolar electrostatics and smooth particle mesh Ewald summation: a theoretical studyFrançois Zielinski, Paul L A Popelier
Pageof 15

Showing results (1-10 of 144) with videos related to

Sort By:
Pageof 15
Journal of Molecular Modeling|August 25, 2022
Non-covalent interactions from a Quantum Chemical Topology perspectivePaul L A Popelier
The Journal of Physical Chemistry. A|October 8, 2011
Fully analytical integration over the 3D volume bounded by the β sphere in topological atomsPaul L A Popelier
Journal of Computational Chemistry|January 12, 2018
A fully analytical integration of properties over the 3D volume of the β sphere in topological atomsPaul L A Popelier
The Journal of Physical Chemistry. A|January 6, 2023
Linking the Interatomic Exchange-Correlation Energy to Experimental <i>J</i>-Coupling ConstantsIbon Alkorta, Paul L A Popelier
The Journal of Physical Chemistry. B|March 6, 2009
Prediction of interaction energies of substituted hydrogen-bonded Watson-Crick cytosine:guanine(8X) base pairsChunxia Xue, Paul L A Popelier
Journal of the American Chemical Society|July 18, 2002
The elusive atomic rationale for DNA base pair stabilityPaul L A Popelier, Laurent Joubert
Carbohydrate Research|November 9, 2011
Computational study of mutarotation in erythrose and threoseIbon Alkorta, Paul L A Popelier
Bioorganic & Medicinal Chemistry Letters|April 2, 2008
Exploring predictive QSAR models for hepatocyte toxicity of phenols using QTMS descriptorsKunal Roy, Paul L A Popelier
The Journal of Physical Chemistry. B|April 1, 2008
Computational study of substituent effects on the interaction energies of hydrogen-bonded Watson-Crick cytosine: guanine base pairsChunxia Xue, Paul L A Popelier
Journal of Molecular Modeling|June 25, 2014
Spherical tensor multipolar electrostatics and smooth particle mesh Ewald summation: a theoretical studyFrançois Zielinski, Paul L A Popelier
Pageof 15