Rattling motion of proton through five membered aromatic ring systems
نویسندگان
چکیده
منابع مشابه
Aromatic Electronic Delocalization of Benzo Derivatives of Five-membered Heterocycles
The aromaticity of some bicyclic heterocycles is discussed with the aid of the configuration analysis of the expansion coefficient matrices and the similarity analysis of the density matrices. The iso-it-electronic [9] annulenyl anion is taken as the aromatic reference compound for all the heterocyclic compounds considered. The restflts are compared with · those previously obtained from conside...
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In recent work, thermal energy gaps. AE, it °PUPS gas, Ana; Gibbs free energy gaps, AG.,, between singlet(s) and triplet 0) states of 5.12C3H2C, I m (4 N. P. As and Sb) were calculated and compared with thoseanalogues. MC2113C, (M= CIL N. P. As and Sb) at B3LYIE6-311-NG" level of theory. Our itself showedthat Gibbs free energy gaps. AG, for l uu and 1 p are less than IS and I's, respectively. I...
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The absolute total cross-section (TCS) for electron scattering from isoxasole, (CH)3NO, molecule has been measured using the linear transmission technique for impact energies ranging from 1 to 400 eV. The measured TCS energy dependence appears typical for highly polar targets; over whole energy range applied, the magnitude of TCS generally decreases as the energy increases. Some narrow features...
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ژورنال
عنوان ژورنال: Computational and Theoretical Chemistry
سال: 2020
ISSN: 2210-271X
DOI: 10.1016/j.comptc.2020.112825