Parcourir Publications scientifiques (Laboratoires) par sujet "Electron density, Dipole moment, Electrostatic potential, Hirshfeld Surface, Hyperpolarizabilty."

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Hirshfeld surface analysis, topological features and nonlinear optical properties of phthalonitrile derivative: low temperature experimental charge density and quantum chemistry studies

Benaissi, Hafida; Drissi, Mokhtaria; Yahiaoui, Salem; Megrouss, Youcef; Chouaih, Abdelkader; Hamzaoui, Fodil (Journal of Optoelectronics and Biomedical Materials, 10(3), 73 – 82, 2018-08-25)

The Hansen-Coppens multipolar formalism was used to investigate the experimental electron density (ED) distribution of phthalonitrile derivative from single crystal X-ray data. The crystal displays C–H⋅⋅⋅O and O–H⋅⋅⋅N ...
HIRSHFELD SURFACE ANALYSIS, TOPOLOGICAL FEATURES AND NONLINEAR OPTICAL PROPERTIES OF PHTHALONITRILE DERIVATIVE: LOW TEMPERATURE EXPERIMENTAL CHARGE DENSITY AND QUANTUM CHEMISTRY STUDIES

BENAISSI, Hafida; DRISSI, Mokhtaria; YAHIAOUI, Salem; MEGROUSS, Youcef; CHOUAIH, Abdelkader; HAMZAOUI, Fodil (Forum of chalcogeniders, 2018-08-25)

The Hansen-Coppens multipolar formalism was used to investigate the experimental electron density (ED) distribution of phthalonitrile derivative from single crystal X-ray data. The crystal displays C–H⋅⋅⋅O and O–H⋅⋅⋅N ...

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