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Frank De Proft

Showing results (131-140 of 211) with videos related to

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Physical Chemistry Chemical Physics : PCCP|October 24, 2012
Inverse design of molecules with optimal reactivity properties: acidity of 2-naphthol derivativesFreija De Vleeschouwer, Weitao Yang, David N Beratan, et al.
Journal of Chemical Theory and Computation|February 4, 2025
Exploring Intrinsic Bond Properties with the Fukui Matrix from Conceptual Density Matrix Functional TheoryBin Wang, Paul Geerlings, Farnaz Heidar-Zadeh, et al.
Physical Chemistry Chemical Physics : PCCP|September 13, 2023
The electrophilic aromatic bromination of benzenes: mechanistic and regioselective insights from density functional theoryXavier Deraet, Eline Desmedt, Ruben Van Lommel, et al.
Angewandte Chemie (International Ed. in English)|April 24, 2019
Organocatalytic, Enantioselective Dichlorination of Unfunctionalized AlkenesVolker Wedek, Ruben Van Lommel, Constantin G Daniliuc, et al.
The Journal of Physical Chemistry. A|July 2, 2011
Theoretical study on the regioselectivity of the B80 buckyball in electrophilic and nucleophilic reactions using DFT-based reactivity indicesJules Tshishimbi Muya, Frank De Proft, Paul Geerlings, et al.
Chemistryopen|July 12, 2019
A Benchmark of Density Functional Approximations For Thermochemistry and Kinetics of Hydride Reductions of CyclohexanonesXavier Deraet, Tatiana Woller, Ruben Van Lommel, et al.
Chemical Science|June 3, 2022
Extending conceptual DFT to include external variables: the influence of magnetic fieldsRobin Francotte, Tom J P Irons, Andrew M Teale, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|April 21, 2012
Electronic structure and aromaticity of graphene nanoribbonsFrancisco J Martín-Martínez, Stijn Fias, Gregory Van Lier, et al.
Physical Chemistry Chemical Physics : PCCP|July 11, 2017
Aromaticity and antiaromaticity of substituted fulvene derivatives: perspectives from the information-theoretic approach in density functional reactivity theoryDonghai Yu, Chunying Rong, Tian Lu, et al.
Chemical Communications (Cambridge, England)|April 11, 2009
Unexpected nucleophilic behaviour of free-radicals generated from alpha-iodoketonesCorinne De Dobbeleer, Jirí Pospísil, Freija De Vleeschouwer, et al.
Pageof 22

Showing results (131-140 of 211) with videos related to

Sort By:
Pageof 22
Physical Chemistry Chemical Physics : PCCP|October 24, 2012
Inverse design of molecules with optimal reactivity properties: acidity of 2-naphthol derivativesFreija De Vleeschouwer, Weitao Yang, David N Beratan, et al.
Journal of Chemical Theory and Computation|February 4, 2025
Exploring Intrinsic Bond Properties with the Fukui Matrix from Conceptual Density Matrix Functional TheoryBin Wang, Paul Geerlings, Farnaz Heidar-Zadeh, et al.
Physical Chemistry Chemical Physics : PCCP|September 13, 2023
The electrophilic aromatic bromination of benzenes: mechanistic and regioselective insights from density functional theoryXavier Deraet, Eline Desmedt, Ruben Van Lommel, et al.
Angewandte Chemie (International Ed. in English)|April 24, 2019
Organocatalytic, Enantioselective Dichlorination of Unfunctionalized AlkenesVolker Wedek, Ruben Van Lommel, Constantin G Daniliuc, et al.
The Journal of Physical Chemistry. A|July 2, 2011
Theoretical study on the regioselectivity of the B80 buckyball in electrophilic and nucleophilic reactions using DFT-based reactivity indicesJules Tshishimbi Muya, Frank De Proft, Paul Geerlings, et al.
Chemistryopen|July 12, 2019
A Benchmark of Density Functional Approximations For Thermochemistry and Kinetics of Hydride Reductions of CyclohexanonesXavier Deraet, Tatiana Woller, Ruben Van Lommel, et al.
Chemical Science|June 3, 2022
Extending conceptual DFT to include external variables: the influence of magnetic fieldsRobin Francotte, Tom J P Irons, Andrew M Teale, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|April 21, 2012
Electronic structure and aromaticity of graphene nanoribbonsFrancisco J Martín-Martínez, Stijn Fias, Gregory Van Lier, et al.
Physical Chemistry Chemical Physics : PCCP|July 11, 2017
Aromaticity and antiaromaticity of substituted fulvene derivatives: perspectives from the information-theoretic approach in density functional reactivity theoryDonghai Yu, Chunying Rong, Tian Lu, et al.
Chemical Communications (Cambridge, England)|April 11, 2009
Unexpected nucleophilic behaviour of free-radicals generated from alpha-iodoketonesCorinne De Dobbeleer, Jirí Pospísil, Freija De Vleeschouwer, et al.
Pageof 22