Pregled bibliografske jedinice broj: 507514
Calculations of normal vibrations and intra- and intermolecular force constants in crystalline imidazole
Calculations of normal vibrations and intra- and intermolecular force constants in crystalline imidazole // The Journal of chemical physics, 61 (1974), 8; 3270-3278 doi:10.1063/1.1682487 (međunarodna recenzija, članak, znanstveni)
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Naslov
Calculations of normal vibrations and intra- and intermolecular force constants in crystalline imidazole
Autori
Colombo, Lidija ; Bleckmann, P. ; Schrader, B. ; Schneider, R. ; Plesser, Th.
Izvornik
The Journal of chemical physics (0021-9606) 61
(1974), 8;
3270-3278
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
semiempirical CNDO/2 calculation ; Raman spectra ; single crystals ; hydrogen bonding
Sažetak
Couplings between molecular and crystal vibrational modes in imidazole have been investigated and the influence of the hydrogen bond on these modes has been studied. In normal‐mode calculations a program has been used which allows all possible couplings between vibrations of the molecules and those of the crystal lattice. In this way molecular modes coupled to lattice vibrations and lattice modes describing predominantly hydrogen‐bond vibrations have been isolated.
Izvorni jezik
Engleski
Znanstvena područja
Fizika, Kemija
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
