Pregled bibliografske jedinice broj: 81606
A Semiempirical Study of Intramolecular Hydrogen-bonding in some Naphthazarin Derivatives
A Semiempirical Study of Intramolecular Hydrogen-bonding in some Naphthazarin Derivatives // Croatica Chemica Acta, 65 (1992), 1; 69-76 (međunarodna recenzija, članak, znanstveni)
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Naslov
A Semiempirical Study of Intramolecular Hydrogen-bonding in some Naphthazarin Derivatives
Autori
Maksić, Zvonimir, B. ; Margetić, Davor ; Eckert-Maksić, Mirjana
Izvornik
Croatica Chemica Acta (0011-1643) 65
(1992), 1;
69-76
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
X-Ray-diffraction; AM1; calculations
Sažetak
Structural and energetic properties of some derivatives of naphthazarin are considered by the semiempirical AM1 method. It is shown that these systems, possessing intramolecular hydrogen bonds, are qualitatively well described at the AM1 level or theory. This conclusion is supported by a good qualitative agreement with available experimental data. The strength of the intramolecular hydrogen bond is briefly discussed. It appears that their energies are roughly additive.
Izvorni jezik
Engleski
Citiraj ovu publikaciju:
Časopis indeksira:
- Current Contents Connect (CCC)
- Web of Science Core Collection (WoSCC)
- Science Citation Index Expanded (SCI-EXP)
- SCI-EXP, SSCI i/ili A&HCI
