Litcius/Paper detail

Growth, crystal structure, Hirshfeld surface analysis, DFT studies, physicochemical characterization, and cytotoxicity assays of novel organic triphosphate

Yathreb Oueslati, Sevgi Kansız, Necmi Dege, Cristina de la Torre Paredes, Antoni Llopis‐Lorente, Ramón Martínez‐Máñez, Wajda Smirani Sta

2022Journal of Molecular Modeling45 citationsDOIOpen Access PDF

Topics & Concepts

Hydrogen bondIntermolecular forceDensity functional theoryChemistryCrystallographyPowder diffractionCrystal (programming language)Single crystalPhotoluminescenceFourier transform infrared spectroscopyDiffractionCrystal structureBasis setMoleculeComputational chemistryMaterials scienceOrganic chemistryChemical engineeringOpticsOptoelectronicsEngineeringProgramming languageComputer sciencePhysicsCrystal structures of chemical compoundsCrystallography and molecular interactionsNonlinear Optical Materials Research