Grant: Discovery Grants Program - Individual
University of Alberta
$90,000.00
Model Core Potentials: Development and Applications
EF 2021-22
Résumé
design of new anti-cancer drugs; fragment molecular orbitals and model core potentials; molecular dynamics; molecular electronic structure; pseudopotentials and basis sets; rare gas chemistry; relativistic effects; spin-orbit coupling; transition metal chemistry
Programme
Discovery Grants Program - Individual
Bénéficiaire
Emplacement
Alberta, Canada
Type de bénéficiaire
Academia
Type
Grant
Source
NSERC's Awards Data
Tel que publié
Application id
RGPIN-2017-05055
Name nom
Klobukowski, Mariusz
Department département
Chemistry
Organization id
9
Institution établissement
University of Alberta
Province en
Alberta
Province fr
Alberta
Country en
CANADA
Country fr
CANADA
Fiscal year exercice financier
2021
Competition year année de concours
2017
Award amount
90000
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
1200
Area of application group en
Advancement of knowledge
Area of application group fr
Avancement des connaissances
Area of application en
Advancement of knowledge
Area of application fr
Avancement des connaissances
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:5; 6
Partie
2
Nb partie
6
Application title
Model Core Potentials: Development and Applications
Keyword
NSERC
Application summary
design of new anti-cancer drugs; fragment molecular orbitals and model core potentials; molecular dynamics; molecular electronic structure; pseudopotentials and basis sets; rare gas chemistry; relativistic effects; spin-orbit coupling; transition metal chemistry
