Autor:	Bohmann, Jonathan A., Weinhold, Frank
Předmět:	NUCLEAR magnetic resonance ATOMIC orbitals
Zdroj:	Journal of Chemical Physics; 7/22/1997, Vol. 107 Issue 4, p1173, 12p, 11 Diagrams, 9 Charts
Abstrakt:	Discusses the natural chemical shielding analysis of nuclear magnetic resonance shielding tensors from gauge-including atomic orbital calculations. Comparison with the individual gauge for localized orbitals method; Carbon and oxygen shielding in carbon monoxide; Formaldehyde.
Databáze:	Complementary Index
Externí odkaz:	Zobrazit plný text záznamu