Design and applications of high accuracy models for non-covalent interactions of electronically excited pi systems based on ab initio monomer wave functions  Page description

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Details of project

  
Identifier
142634
Type K
Principal investigator Szalay, Péter
Title in Hungarian Nagypontosságú eljárások kidolgozása és alkalmazása gerjesztett pi rendszerek nem-kovalens kölcsönhatásainak ab initio monomer-hullámfüggvényeken alapuló modellezésére
Title in English Design and applications of high accuracy models for non-covalent interactions of electronically excited pi systems based on ab initio monomer wave functions
Keywords in Hungarian kvantumkémia, nem-kovalens kölcsönhatások, gerjesztett állapot, egymolekulás csomópontok
Keywords in English quantum chemistry, non-covalent interactions, excited states, single molecular junctions
Discipline
Physical Chemistry and Theoretical Chemistry (Council of Physical Sciences)100 %
Panel Chemistry 1
Department or equivalent Institute of Chemistry (Eötvös Loránd University)
Participants Al Shahrour, Ahmed Shaalan Alag
Fogarasi, Géza
Jelenfi, Dávid Péter
Tajti, Attila László
Starting date 2022-10-01
Closing date 2026-09-30
Funding (in million HUF) 47.906
FTE (full time equivalent) 12.70
state running project




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