Single-Crystal Investigation, Hirshfeld Surface Analysis, and DFT Study of Third-Order NLO Properties of Unsymmetrical Acyl Thiourea Derivatives
Muhammad Ashfaq, Muhammad Nawaz Tahir, Shabbir Muhammad, Khurram Shahzad Munawar, Akbar Ali, Georgii Bogdanov, Saleh S. Alarfaji
Abstract
compounds but also evoke the interest of the materials science community in their potential use in NLO applications.
Topics & Concepts
ThioureaIntramolecular forceCrystallographyCyclohexaneCrystal structureChemistryNon-covalent interactionsDensity functional theoryCrystal engineeringSingle crystalPolarizabilityMoleculeCrystal (programming language)Computational chemistryMaterials scienceHydrogen bondStereochemistrySupramolecular chemistryOrganic chemistryProgramming languageComputer scienceNonlinear Optical Materials ResearchCrystal structures of chemical compoundsSynthesis and biological activity