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Please use this identifier to cite or link to this item: http://repo.knmu.edu.ua/handle/123456789/8898

Название: Investigation of quantum-chemical properties of paracetamol
Авторы: Syrovaya, Anna Olegovna
Levashova, Olga Leonidovna
Andreeva, Svetlana Victorovna
Ключевые слова: paracetamol
spatial structure
quantum-chemical properties
Issue Date: 2015
Издатель: Iaipur, India
Библиографическое описание: Syrovaya A. O. Investigation of quantum-chemical properties of paracetamol / А. O. Syrovaya, O. L. Levashova, S. V. Andreeva // Journal of Chemical and Pharmaceutical Research. – 2015. – № 7 (1). – P. 307–311.
Аннотация: Paracetamol is a widely used drug in medical practice. We have studied the quantum-chemical properties of paracetamol,which are vital for understanding of mechanisms of biological and pharmacological activity at a molecular level. The geometry optimization for paracetamol molecule was performed by PM3 method, PolakRibiere algorithm. We have determined the distance between atoms, total charge density, characteristics of molecular orbitals (HOMO, LUMO) of paracetamol molecule.
URI: http://repo.knmu.edu.ua/handle/123456789/8898
ISSN: 0975-7384
Appears in Collections:Наукові праці. Кафедра медичної та біоорганічної хімії

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