Quantum theory of atoms in molecules in condensed charge density space
نویسندگان
چکیده
منابع مشابه
Quantum Theory of Atoms in Molecules Charge-Charge Transfer-Dipolar Polarization Classification of Infrared Intensities.
Fundamental infrared vibrational transition intensities of gas-phase molecules are sensitive probes of changes in electronic structure accompanying small molecular distortions. Models containing charge, charge transfer, and dipolar polarization effects are necessary for a successful classification of the C-H, C-F, and C-Cl stretching and bending intensities. C-H stretching and in-plane bending ...
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ژورنال
عنوان ژورنال: Canadian Journal of Chemistry
سال: 2019
ISSN: 0008-4042,1480-3291
DOI: 10.1139/cjc-2019-0086