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Investigation of relationship between Spinosa and Shuster methods and describing parameters of bond in gas phase

عنوان مقاله: Investigation of relationship between Spinosa and Shuster methods and describing parameters of bond in gas phase
شناسه ملی مقاله: ISPTC18_052
منتشر شده در هجدهمین همایش شیمی فیزیک ایران در سال 1394
مشخصات نویسندگان مقاله:

P Mohammadzadeh Jahani - Department of medicine, Bam university of medical science, Bam, Iran
H Hamidian - Department of Chemistry, Payam Noor University. P.O. Box 19359-4697, Tehran, Iran
E Naroie - Department of Chemistry, Payam Noor University. P.O. Box 19359-4697, Tehran, Iran

خلاصه مقاله:
Investigation of O-H…O intramolecular hydrogen bond (IMHB) in N-formal formamidicacid(NFF) and its derivatives were performed and their IMHB energies were obtained usingthe shuster and Spinosa methods.[1,2] Also the topological properties of electron densitydistribution and charge transfer energy associated with IMHB were gained by quantumtheory of atoms in molecules and natural bond orbital theory, respectively.

صفحه اختصاصی مقاله و دریافت فایل کامل: https://civilica.com/doc/552511/