Pregled bibliografske jedinice broj: 75770
Geometry versus Topology: Overlapping Spheres Model Corrected for Angles
Geometry versus Topology: Overlapping Spheres Model Corrected for Angles // Match-Communications in mathematical chemistry and in computer chemistry, 44 (2001), 44; 305-317 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 75770 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Geometry versus Topology: Overlapping Spheres Model Corrected for Angles
Autori
Graovac, Ante ; Orbanić, Alen ; Pisanski, Tomaž
Izvornik
Match-Communications in mathematical chemistry and in computer chemistry (0340-6253) 44
(2001), 44;
305-317
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
molecular geometry; molecular topology; overlapping spheres model corrected for angles
Sažetak
All geometrical information is missing in topological, i.e. graph theoretical description of connectivity in molecules. However, a part of molecular geometry could be recovered if some graph drawing algorithm is onvoked. The aim of the present paper is to improve the Overlapping Spheres (OS) model by angles considerations. Two algorithms within this so called Overlapping Spheres with Angles (OSAN) model were developed and their self-consistency tested.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
Citiraj ovu publikaciju:
Časopis indeksira:
- Web of Science Core Collection (WoSCC)
- Science Citation Index Expanded (SCI-EXP)
- SCI-EXP, SSCI i/ili A&HCI
- Scopus
Uključenost u ostale bibliografske baze podataka::
- Chemical Abstracts
