Pregled bibliografske jedinice broj: 369953
Proton affinities of didehydroporphyrin and subporphyrin in ground and excited states obtained by quantum chemical calculations
Proton affinities of didehydroporphyrin and subporphyrin in ground and excited states obtained by quantum chemical calculations // Croatica Chemica Acta, 82 (2009), 1; 63-70 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 369953 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Proton affinities of didehydroporphyrin and subporphyrin in ground and excited states obtained by quantum chemical calculations
Autori
Glasovac, Zoran ; Vazdar, Mario ; Margetić, Davor
Izvornik
Croatica Chemica Acta (0011-1643) 82
(2009), 1;
63-70
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
DFT calculations; NICS; TDDFT; proton affinity; basicity
Sažetak
Quantum-chemical calculations were used to investigate molecular and electronic properties of porphyrin and subporphyrin.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
Projekti:
098-0982933-2920 - Organski i bioorganski procesi u osnovnom i elektronski pobuđenim stanjima (Maksić, Mirjana, MZOS ) ( CroRIS)
098-0982933-3218 - Host-guest međudjelovanja u policikličkim sustavima (Margetić, Davor, MZOS ) ( CroRIS)
Ustanove:
Institut "Ruđer Bošković", Zagreb
