Synthesis, co-crystal structure, and DFT calculations of a multicomponent co-crystal constructed from 1H-benzotriazole and tetrafluoroterephthalic acid
Fengcai Li, Zhaojian Zheng, Shuwei Xia, Liang Yu
Topics & Concepts
ChemistryNatural bond orbitalHydrogen bondCrystallographyDensity functional theoryCrystal structureAtoms in moleculesCrystal (programming language)MoleculeRaman spectroscopyBenzotriazoleSingle crystalComputational chemistryOrganic chemistryPhysicsOpticsProgramming languageComputer scienceCrystallography and molecular interactionsCrystal structures of chemical compoundsNonlinear Optical Materials Research