Academic Bibliography

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Influence of solvation and dynamics on the mechanism and kinetics of nucleophilic aromatic substitution reactions in liquid ammonia

SLC Moors, B Brigou, Dietmar Hertsen (UGent) , B Pinter, P Geerlings, Veronique Van Speybroeck (UGent) , Saron Catak (UGent) and F De Proft

(2016) JOURNAL OF ORGANIC CHEMISTRY. 81(4). p.1635-1644
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- journalArticle
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An Intrinsic Radical Stability Scale from the Perspective of Bond Dissociation Enthalpies: A Companion to Radical Electrophilicities

Freija De Vleeschouwer, Veronique Van Speybroeck (UGent) , Michel Waroquier (UGent) , P GEERLINGS and F DE PROFT

(2008) JOURNAL OF ORGANIC CHEMISTRY. 73(22). p.9109-9120
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- journalArticle
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Electrophilicity and nucleophilicity index for radicals

Freija De Vleeschouwer, Veronique Van Speybroeck (UGent) , Michel Waroquier (UGent) , P GEERLINGS and F DE PROFT

(2007) ORGANIC LETTERS. 9(14). p.2721-2724
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Spin-polarized conceptual density functional theory study of the regioselectivity in ring closures of radicals

B PINTER, F DE PROFT, Veronique Van Speybroeck (UGent) , Karen Hemelsoet (UGent) , Michel Waroquier (UGent) , E CHAMORRO, T VESZPREMI and P GEERLINGS

(2007) JOURNAL OF ORGANIC CHEMISTRY. 72(2). p.348-356
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General discussion

D ASTURIOL, P AYERS, RFW BADER, N BANDEIRA, MA BLANCO, B BRAIDA, Patrick Bultinck (UGent) , N BURTON, M CHAPMAN, D CLARY, et al.

(2007) FARADAY DISCUSSIONS. 135. p.125-149
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- journalArticle
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Woodward-Hoffmann rules in density functional theory: Initial hardness response

F DE PROFT, PW AYERS, Stijn Fias (UGent) and P GEERLINGS

(2006) JOURNAL OF CHEMICAL PHYSICS. 125(21).
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Study of molecular quantum similarity of enantiomers of amino acids

G BOON, C VAN ALSENOY, Filip De Proft, Patrick Bultinck (UGent) and P GEERLINGS

(2006) JOURNAL OF PHYSICAL CHEMISTRY A. 110(15). p.5114-5120
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- journalArticle
- A1
Spin-polarized conceptual density functional theory study of the regioselectivity in the [2+2] photocycloaddition of enones to substituted alkenes

F DE PROFT, Stijn Fias (UGent) , C VAN ALSENOY and P GEERLINGS

(2005) JOURNAL OF PHYSICAL CHEMISTRY A. 109(28). p.6335-6343
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- journalArticle
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Molecular quantum similarity of enantiomers of amino acids: a case study

G BOON, C VAN ALSENOY, F DE PROFT, Patrick Bultinck (UGent) and P GEERLINGS

(2005) JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 727(1-3). p.49-56
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- A1
- open access
Density functional theory as a tool for the structure determination of radiation-induced bioradicals

F DE PROFT, Ewald Pauwels (UGent) , P LAHORTE, Veronique Van Speybroeck (UGent) , Michel Waroquier (UGent) and P GEERLINGS

(2004) MAGNETIC RESONANCE IN CHEMISTRY. 42.

Academic Bibliography

Influence of solvation and dynamics on the mechanism and kinetics of nucleophilic aromatic substitution reactions in liquid ammonia

An Intrinsic Radical Stability Scale from the Perspective of Bond Dissociation Enthalpies: A Companion to Radical Electrophilicities

Electrophilicity and nucleophilicity index for radicals

Spin-polarized conceptual density functional theory study of the regioselectivity in ring closures of radicals

General discussion

Woodward-Hoffmann rules in density functional theory: Initial hardness response

Study of molecular quantum similarity of enantiomers of amino acids

Spin-polarized conceptual density functional theory study of the regioselectivity in the [2+2] photocycloaddition of enones to substituted alkenes

Molecular quantum similarity of enantiomers of amino acids: a case study

Density functional theory as a tool for the structure determination of radiation-induced bioradicals

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