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Chemistry (Weinheim an Der Bergstrasse, Germany)
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January 21, 2020
Ambident Nucleophilic Substitution: Understanding Non-HSAB Behavior through Activation Strain and Conceptual DFT Analyses
Tom Bettens, Mercedes Alonso, Frank De Proft, et al.
Chemical Science
|
June 25, 2021
A dynamic picture of the halolactonization reaction through a combination of <i>ab initio</i> metadynamics and experimental investigations
Ruben Van Lommel, Jonathan Bock, Constantin G Daniliuc, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 12, 2015
Investigation of electron density changes at the onset of a chemical reaction using the state-specific dual descriptor from conceptual density functional theory
Frank De Proft, Valérian Forquet, Benjamin Ourri, et al.
Organic Letters
|
June 15, 2007
Electrophilicity and nucleophilicity index for radicals
Freija De Vleeschouwer, Veronique Van Speybroeck, Michel Waroquier, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 16, 2006
Hartree-Fock energy partitioning in terms of Hirshfeld atoms
Marcos Mandado, Christian Van Alsenoy, Paul Geerlings, et al.
The Journal of Physical Chemistry Letters
|
November 4, 2024
Slope of the Delocalization Function Is Proportional to Analytical Hardness
Bin Wang, Paul Geerlings, Farnaz Heidar-Zadeh, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 10, 2020
Mechanochemically Triggered Topology Changes in Expanded Porphyrins
Tom Bettens, Marvin Hoffmann, Mercedes Alonso, et al.
Dalton Transactions (Cambridge, England : 2003)
|
March 24, 2012
Monomeric organoantimony(III) sulphide and selenide with terminal Sb-E bond (E = S, Se). Synthesis, structure and theoretical consideration
Petr Šimon, Roman Jambor, Aleš Růžička, et al.
The Journal of Organic Chemistry
|
October 22, 2008
An intrinsic radical stability scale from the perspective of bond dissociation enthalpies: a companion to radical electrophilicities
Freija De Vleeschouwer, Veronique Van Speybroeck, Michel Waroquier, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 20, 2012
Relativistic ring currents in metallabenzenes: an analysis in terms of contributions of localised orbitals
Remco W A Havenith, Frank De Proft, Leonardus W Jenneskens, et al.
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Search research articles
Search
Showing results (121-130 of 211) with videos related to
Sort By:
Page
of 22
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 21, 2020
Ambident Nucleophilic Substitution: Understanding Non-HSAB Behavior through Activation Strain and Conceptual DFT Analyses
Tom Bettens, Mercedes Alonso, Frank De Proft, et al.
Chemical Science
|
June 25, 2021
A dynamic picture of the halolactonization reaction through a combination of <i>ab initio</i> metadynamics and experimental investigations
Ruben Van Lommel, Jonathan Bock, Constantin G Daniliuc, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 12, 2015
Investigation of electron density changes at the onset of a chemical reaction using the state-specific dual descriptor from conceptual density functional theory
Frank De Proft, Valérian Forquet, Benjamin Ourri, et al.
Organic Letters
|
June 15, 2007
Electrophilicity and nucleophilicity index for radicals
Freija De Vleeschouwer, Veronique Van Speybroeck, Michel Waroquier, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 16, 2006
Hartree-Fock energy partitioning in terms of Hirshfeld atoms
Marcos Mandado, Christian Van Alsenoy, Paul Geerlings, et al.
The Journal of Physical Chemistry Letters
|
November 4, 2024
Slope of the Delocalization Function Is Proportional to Analytical Hardness
Bin Wang, Paul Geerlings, Farnaz Heidar-Zadeh, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 10, 2020
Mechanochemically Triggered Topology Changes in Expanded Porphyrins
Tom Bettens, Marvin Hoffmann, Mercedes Alonso, et al.
Dalton Transactions (Cambridge, England : 2003)
|
March 24, 2012
Monomeric organoantimony(III) sulphide and selenide with terminal Sb-E bond (E = S, Se). Synthesis, structure and theoretical consideration
Petr Šimon, Roman Jambor, Aleš Růžička, et al.
The Journal of Organic Chemistry
|
October 22, 2008
An intrinsic radical stability scale from the perspective of bond dissociation enthalpies: a companion to radical electrophilicities
Freija De Vleeschouwer, Veronique Van Speybroeck, Michel Waroquier, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 20, 2012
Relativistic ring currents in metallabenzenes: an analysis in terms of contributions of localised orbitals
Remco W A Havenith, Frank De Proft, Leonardus W Jenneskens, et al.
Page
of 22