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Electronic and Steric Structure of ClAsX2Molecules: Evaluation by35Cl NQR and Quantum-Chemical Calculations

✍ Scribed by V. P. Feshin; E. V. Feshina; L. I. Zhizhina


Book ID
106522855
Publisher
Springer
Year
2005
Tongue
English
Weight
58 KB
Volume
75
Category
Article
ISSN
1070-3632

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## Abstract ^35^Cl NQR spectra of substituted phenylisoxazoles and isoxazolines were analysed. For certain molecules the atom charges and orbital populations were calculated with the MINDO/3 method. It was proved that a chlorine atom at position 4 on an isoxazole ring transmits the influence from t