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Intermolecular hydrogen bond interactions in the thiourea/water complexes (Thio-(H2O)n) (n = 1, …, 5): X-ray, DFT, NBO, AIM, and RDG analyses

Feride Akman, Noureddine Issaoui, Аleksandr S. Kazachenko

2020Journal of Molecular Modeling157 citationsDOI

Topics & Concepts

Natural bond orbitalHyperpolarizabilityPolarizabilityHydrogen bondChemistryDensity functional theoryMoleculeIntermolecular forceThio-ThioureaComputational chemistryEnthalpyCrystallographyPhysical chemistryThermodynamicsStereochemistryOrganic chemistryPhysicsNonlinear Optical Materials ResearchFree Radicals and AntioxidantsSpectroscopy and Quantum Chemical Studies
Intermolecular hydrogen bond interactions in the thiourea/water complexes (Thio-(H2O)n) (n = 1, …, 5): X-ray, DFT, NBO, AIM, and RDG analyses | Litcius