MODELING OF ALKYL SALICYLATE COMPOUNDS AS UV ABSORBER BASED ON ELECTRONIC TRANSITION BY USING SEMIEMPIRICAL QUANTUM MECHANICS ZINDO/s CALCULATION
نویسندگان
چکیده
منابع مشابه
Transannular Interaction in N-Aryl-5-Azocanones, A Semiempirical Quantum Mechanics and UV Spectroscopy Studies
The ability of the present semiempirical quantum mechanics methods are surveyed for reproducing the transannular interaction in the bifunctional N-phenyl-5-azocanones. The AM1 method is the best with the order of reliability being Am1, PM3, MNDO and MINDO/3. AM1 calculations were then carried out for quantification of transannular interaction. The n(o) ionization potential has be...
متن کاملtransannular interaction in n-aryl-5-azocanones, a semiempirical quantum mechanics and uv spectroscopy studies
the ability of the present semiempirical quantum mechanics methods are surveyed for reproducing the transannular interaction in the bifunctional n-phenyl-5-azocanones. the am1 method is the best with the order of reliability being am1, pm3, mndo and mindo/3. am1 calculations were then carried out for quantification of transannular interaction. the n(o) ionization potential has been used for thi...
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ژورنال
عنوان ژورنال: Indonesian Journal of Chemistry
سال: 2010
ISSN: 2460-1578,1411-9420
DOI: 10.22146/ijc.21934