Pregled bibliografske jedinice broj: 772465
On the geometric-distance matrix and the corresponding structural invariants of molecular systems
On the geometric-distance matrix and the corresponding structural invariants of molecular systems // Chemical physics letters, 179 (1991), 1-2; 21-28 doi:10.1016/0009-2614(91)90285-H (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 772465 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
On the geometric-distance matrix and the
corresponding structural invariants of
molecular systems
Autori
Nikolić, Sonja ; Trinajstić, Nenad ; Mihalić, Zlatko ; Carter, S
Izvornik
Chemical physics letters (0009-2614) 179
(1991), 1-2;
21-28
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
characteristic-polynomials ; computer-generation ; chemical graphs
Sažetak
A recently introduced concept of the geometric- distance polynominal by Balasubramanian is used for differentiating conformational isomers. Related geometry-dependent invariants (the spectrum of the geometric-distance matrix and the three-dimensional Wiener number) are also used for the same purpose. The geometric- distance matrix is computed by means of a molecular-mechanics method, and its characteristic polynominal by a modified Le Verrier-Fadeev-Frame-Balasubramanian method.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
Ustanove:
Institut "Ruđer Bošković", Zagreb,
Prirodoslovno-matematički fakultet, Zagreb
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
