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Hirshfeld surfaces analysis and DFT study of the structure and IR spectrum of N-ethyl-2-amino-1-(4-chlorophenyl)propan-1-one (4-CEC) hydrochloride

В. А. Минаева, Nataliya Karaush‐Karmazin, Alexandr A. Panchenko, Dmitriy N. Heleveria, Boris F. Minaev

2021Computational and Theoretical Chemistry17 citationsDOI

Topics & Concepts

ChemistryDensity functional theoryDimerInfrared spectroscopyCrystal structureBasis setCrystallographyCrystal (programming language)Single crystalInfraredComputational chemistryOrganic chemistryProgramming languagePhysicsComputer scienceOpticsCrystallography and molecular interactionsAnalytical Chemistry and ChromatographyMolecular spectroscopy and chirality
Hirshfeld surfaces analysis and DFT study of the structure and IR spectrum of N-ethyl-2-amino-1-(4-chlorophenyl)propan-1-one (4-CEC) hydrochloride | Litcius