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Pregled bibliografske jedinice broj: 75770

Geometry versus Topology: Overlapping Spheres Model Corrected for Angles


Graovac, Ante; Orbanić, Alen; Pisanski, Tomaž
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


Projekti:
00980606

Ustanove:
Institut "Ruđer Bošković", Zagreb

Profili:

Avatar Url Ante Graovac (autor)


Citiraj ovu publikaciju

Graovac, Ante; Orbanić, Alen; Pisanski, Tomaž
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)
Graovac, A., Orbanić, A. & Pisanski, T. (2001) Geometry versus Topology: Overlapping Spheres Model Corrected for Angles. Match-Communications in mathematical chemistry and in computer chemistry, 44 (44), 305-317.
@article{article, year = {2001}, pages = {305-317}, keywords = {molecular geometry, molecular topology, overlapping spheres model corrected for angles}, journal = {Match-Communications in mathematical chemistry and in computer chemistry}, volume = {44}, number = {44}, issn = {0340-6253}, title = {Geometry versus Topology: Overlapping Spheres Model Corrected for Angles}, keyword = {molecular geometry, molecular topology, overlapping spheres model corrected for angles} }
@article{article, year = {2001}, pages = {305-317}, keywords = {molecular geometry, molecular topology, overlapping spheres model corrected for angles}, journal = {Match-Communications in mathematical chemistry and in computer chemistry}, volume = {44}, number = {44}, issn = {0340-6253}, title = {Geometry versus Topology: Overlapping Spheres Model Corrected for Angles}, keyword = {molecular geometry, molecular topology, overlapping spheres model corrected for angles} }

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





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