Pregled bibliografske jedinice broj: 814234
The Conjugated-Circuit Model
The Conjugated-Circuit Model // Computers & chemistry, 14 (1990), 4; 313-322 doi:10.1016/0097-8485(90)80038-4 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 814234 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
The Conjugated-Circuit Model
Autori
Nikolić, Sonja ; Trinajstić, Nenad ; Klein, Douglas J.
Izvornik
Computers & chemistry (0097-8485) 14
(1990), 4;
313-322
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
conjugated circuits ; resonance energy ; Kekulé structures ; polycyclic systems
Sažetak
The conjugated-circuit model is reviewed. The concept of conjugated circuits is presented and the resonance energy expression based on conjugated circuits is given. The selection of parameters for various kinds of conjugated circuits is described. The computational scheme for making conjugated-circuit calculations is detailed and several approaches to key combinatorial problems in the scheme, i.e. the enumeration of Kekulé structures and the enumeration of conjugated circuits, are outlined. The polycyclic systems studied so far by the conjugated-circuit model are listed and this reveals a wide variety of structurally rather diverse systems ranging from benzenoid hydrocarbons to high-temperature superconductors.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
Ustanove:
Institut "Ruđer Bošković", Zagreb
Citiraj ovu publikaciju:
Časopis indeksira:
- Current Contents Connect (CCC)
- Web of Science Core Collection (WoSCC)
- SCI-EXP, SSCI i/ili A&HCI
