Grant: Discovery Grants Program - Individual
Memorial University of Newfoundland
$25,000.00
Electronic Structure Theory: Algorithms, Applications and Cheminformatics
EF 2021-22
Résumé
Atoms in Molecules; deamination and deamidation reactions; electron correlation; electron density; electronic structure theory; functional groups; Hartree-Fock theory; molecular radial density; reaction mechanisms; similarity metrics
Programme
Discovery Grants Program - Individual
Bénéficiaire
Emplacement
Newfoundland and Labrador, Canada
Type de bénéficiaire
Academia
Type
Grant
Source
NSERC's Awards Data
Tel que publié
Application id
RGPIN-2016-04823
Name nom
Poirier, Raymond
Department département
Chemistry - Chemistry
Organization id
89
Institution établissement
Memorial University of Newfoundland
Province en
Newfoundland and Labrador
Province fr
Terre-Neuve-et-Labrador
Country en
CANADA
Country fr
CANADA
Fiscal year exercice financier
2021
Competition year année de concours
2016
Award amount
25000
Program id
RGPIN
Program name en
Discovery Grants Program - Individual
Program name fr
Programme de subventions à la découverte - individuelles
Group en
Discovery grants programs
Group fr
Programmes de subventions à la découverte
Committee code
1504
Committee name en
Chemistry
Committee name fr
Chimie
Area of application code
801
Area of application group en
Information and communication services
Area of application group fr
Services d'information et de télécommunications
Area of application en
Computer software
Area of application fr
Logiciel
Research subject code
3156
Research subject group en
Theoretical physics and chemistry
Research subject group fr
Physique et chimie théoriques
Research subject en
Quantum and/or computational chemistry
Research subject fr
Chimie quantique ou par modélisation numérique
Installment
inst:6
Partie
1
Nb partie
6
Application title
Electronic Structure Theory: Algorithms, Applications and Cheminformatics
Keyword
NSERC
Application summary
Atoms in Molecules; deamination and deamidation reactions; electron correlation; electron density; electronic structure theory; functional groups; Hartree-Fock theory; molecular radial density; reaction mechanisms; similarity metrics
