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P Geerlings

Showing results (41-50 of 54) with videos related to

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Physical Chemistry Chemical Physics : PCCP|March 1, 2016
Understanding the molecular switching properties of octaphyrinsT Woller, J Contreras-García, P Geerlings, et al.
The Journal of Chemical Physics|December 17, 2009
A benchmark theoretical study of the electronic ground state and of the singlet-triplet split of benzene and linear acenesB Hajgató, D Szieberth, P Geerlings, et al.
Journal of Computational Chemistry|February 21, 2003
Hirshfeld partitioning of the electron density: atomic dipoles and their relation with functional group propertiesF De Proft, R Vivas-Reyes, A Peeters, et al.
Journal of Pharmaceutical Sciences|May 1, 1997
Molecular structure and gas chromatographic retention behavior of the components of Ylang-Ylang oilJ Olivero, T Gracia, P Payares, et al.
Magnetic Resonance in Chemistry : MRC|September 15, 2004
Density functional theory as a tool for the structure determination of radiation-induced bioradicalsF De Proft, E Pauwels, P Lahorte, et al.
Chemical Science|September 12, 2022
Conceptual density functional theory under pressure: Part I. XP-PCM method applied to atomsJ Eeckhoudt, T Bettens, P Geerlings, et al.
Journal of Molecular Modeling|February 4, 2017
A computational study on the role of noncovalent interactions in the stability of polymer/graphene nanocompositesS Güryel, M Alonso, B Hajgató, et al.
The Journal of Organic Chemistry|September 1, 2001
Nitrous oxide as a 1,3-dipole: a theoretical study of its cycloaddition mechanismL T Nguyen, F D Proft, A K Chandra, et al.
Bioorganic & Medicinal Chemistry Letters|May 17, 2003
Amide analogues of TSA: synthesis, binding mode analysis and HDAC inhibitionK Van Ommeslaeghe, G Elaut, V Brecx, et al.
The Journal of Organic Chemistry|January 16, 2007
Spin-polarized conceptual density functional theory study of the regioselectivity in ring closures of radicalsB Pintér, F De Proft, V Van Speybroeck, et al.
Pageof 6

Showing results (41-50 of 54) with videos related to

Sort By:
Pageof 6
Physical Chemistry Chemical Physics : PCCP|March 1, 2016
Understanding the molecular switching properties of octaphyrinsT Woller, J Contreras-García, P Geerlings, et al.
The Journal of Chemical Physics|December 17, 2009
A benchmark theoretical study of the electronic ground state and of the singlet-triplet split of benzene and linear acenesB Hajgató, D Szieberth, P Geerlings, et al.
Journal of Computational Chemistry|February 21, 2003
Hirshfeld partitioning of the electron density: atomic dipoles and their relation with functional group propertiesF De Proft, R Vivas-Reyes, A Peeters, et al.
Journal of Pharmaceutical Sciences|May 1, 1997
Molecular structure and gas chromatographic retention behavior of the components of Ylang-Ylang oilJ Olivero, T Gracia, P Payares, et al.
Magnetic Resonance in Chemistry : MRC|September 15, 2004
Density functional theory as a tool for the structure determination of radiation-induced bioradicalsF De Proft, E Pauwels, P Lahorte, et al.
Chemical Science|September 12, 2022
Conceptual density functional theory under pressure: Part I. XP-PCM method applied to atomsJ Eeckhoudt, T Bettens, P Geerlings, et al.
Journal of Molecular Modeling|February 4, 2017
A computational study on the role of noncovalent interactions in the stability of polymer/graphene nanocompositesS Güryel, M Alonso, B Hajgató, et al.
The Journal of Organic Chemistry|September 1, 2001
Nitrous oxide as a 1,3-dipole: a theoretical study of its cycloaddition mechanismL T Nguyen, F D Proft, A K Chandra, et al.
Bioorganic & Medicinal Chemistry Letters|May 17, 2003
Amide analogues of TSA: synthesis, binding mode analysis and HDAC inhibitionK Van Ommeslaeghe, G Elaut, V Brecx, et al.
The Journal of Organic Chemistry|January 16, 2007
Spin-polarized conceptual density functional theory study of the regioselectivity in ring closures of radicalsB Pintér, F De Proft, V Van Speybroeck, et al.
Pageof 6