izvor podataka: crosbi
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Semiempirical vs. Ab Initio calculation of molecular properties. Part 3. Electric field gradients at 14N Nuclei in some small and medium size molecules (CROSBI ID 189875)
Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija
Maksić, Zvonimir B. ; Primorac, Miljenko ; Supek, Selma
Semiempirical vs. Ab Initio calculation of molecular properties. Part 3. Electric field gradients at 14N Nuclei in some small and medium size molecules // Croatica chemica acta, 61 (1988), 65-72
Podaci o odgovornosti
Maksić, Zvonimir B. ; Primorac, Miljenko ; Supek, Selma
engleski
Semiempirical vs. Ab Initio calculation of molecular properties. Part 3. Electric field gradients at 14N Nuclei in some small and medium size molecules
Electric field gradients (EFG) at nitrogen nuclei in some small and medium size molecules are calculated by the semiempirical CNDO/2D and SCC-MO methods. A salient feature of our procedure is accurate evaluation of matrix elements of the EFG operator.
semiempirical methods; ab-inition calculations; electric fied gradient
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