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Frank De Proft

Showing results (21-30 of 211) with videos related to

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The Journal of Physical Chemistry. A|May 12, 2017
Effect of Fluorination on the Competition of Halogen Bonding and Hydrogen Bonding: Complexes of Fluoroiodomethane with Dimethyl Ether and TrimethylamineYannick Geboes, Frank De Proft, Wouter A Herrebout
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|April 1, 2017
Taking the halogen bonding-hydrogen bonding competition one step further: complexes of difluoroiodomethane with trimethylphosphine, dimethyl sulfide and chloromethaneYannick Geboes, Frank De Proft, Wouter A Herrebout
The Journal of Chemical Physics|December 13, 2022
Conceptual density functional theory for temporary anions stabilized by scaled nuclear chargesCharlotte Titeca, Frank De Proft, Thomas-C Jagau
The Journal of Physical Chemistry. A|April 10, 2009
Steric effect: partitioning in atomic and functional group contributionsMiquel Torrent-Sucarrat, Shubin Liu, Frank De Proft
The Journal of Physical Chemistry. A|July 13, 2006
Comprehensive study of density functional theory based properties for group 14 atoms and functional groups, -XY3 (X = C, Si, Ge, Sn, Pb, Element 114; Y = CH3, H, F, Cl, Br, I, At)Kalathingal T Giju, Frank De Proft, Paul Geerlings
Journal of Chemical Information and Modeling|May 8, 2019
Acceleration of Inverse Molecular Design by Using Predictive TechniquesJos L Teunissen, Frank De Proft, Freija De Vleeschouwer
The Journal of Physical Chemistry. A|June 12, 2008
The study of redox reactions on the basis of conceptual DFT principles: EEM and vertical quantitiesJan Moens, Pablo Jaque, Frank De Proft, et al.
Physical Chemistry Chemical Physics : PCCP|January 18, 2014
On the coupling of solvent characteristics to the electronic structure of solute moleculesStuart Bogatko, Emilie Cauët, Paul Geerlings, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|October 15, 2015
Metalated Hexaphyrins: From Understanding to Rational DesignMercedes Alonso, Balazs Pinter, Paul Geerlings, et al.
The Journal of Physical Chemistry. A|October 6, 2007
Silylenes: a unified picture of their stability, acid-base and spin properties, nucleophilicity, and electrophilicity via computational and conceptual density functional theoryJulianna Olah, Tamas Veszprémi, Frank De Proft, et al.
Pageof 22

Showing results (21-30 of 211) with videos related to

Sort By:
Pageof 22
The Journal of Physical Chemistry. A|May 12, 2017
Effect of Fluorination on the Competition of Halogen Bonding and Hydrogen Bonding: Complexes of Fluoroiodomethane with Dimethyl Ether and TrimethylamineYannick Geboes, Frank De Proft, Wouter A Herrebout
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|April 1, 2017
Taking the halogen bonding-hydrogen bonding competition one step further: complexes of difluoroiodomethane with trimethylphosphine, dimethyl sulfide and chloromethaneYannick Geboes, Frank De Proft, Wouter A Herrebout
The Journal of Chemical Physics|December 13, 2022
Conceptual density functional theory for temporary anions stabilized by scaled nuclear chargesCharlotte Titeca, Frank De Proft, Thomas-C Jagau
The Journal of Physical Chemistry. A|April 10, 2009
Steric effect: partitioning in atomic and functional group contributionsMiquel Torrent-Sucarrat, Shubin Liu, Frank De Proft
The Journal of Physical Chemistry. A|July 13, 2006
Comprehensive study of density functional theory based properties for group 14 atoms and functional groups, -XY3 (X = C, Si, Ge, Sn, Pb, Element 114; Y = CH3, H, F, Cl, Br, I, At)Kalathingal T Giju, Frank De Proft, Paul Geerlings
Journal of Chemical Information and Modeling|May 8, 2019
Acceleration of Inverse Molecular Design by Using Predictive TechniquesJos L Teunissen, Frank De Proft, Freija De Vleeschouwer
The Journal of Physical Chemistry. A|June 12, 2008
The study of redox reactions on the basis of conceptual DFT principles: EEM and vertical quantitiesJan Moens, Pablo Jaque, Frank De Proft, et al.
Physical Chemistry Chemical Physics : PCCP|January 18, 2014
On the coupling of solvent characteristics to the electronic structure of solute moleculesStuart Bogatko, Emilie Cauët, Paul Geerlings, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|October 15, 2015
Metalated Hexaphyrins: From Understanding to Rational DesignMercedes Alonso, Balazs Pinter, Paul Geerlings, et al.
The Journal of Physical Chemistry. A|October 6, 2007
Silylenes: a unified picture of their stability, acid-base and spin properties, nucleophilicity, and electrophilicity via computational and conceptual density functional theoryJulianna Olah, Tamas Veszprémi, Frank De Proft, et al.
Pageof 22