THEORETICAL STUDY ON THE HYDROGEN BONDING INTERACTIONS IN PARACETAMOL-WATER COMPLEXES

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THEORETICAL STUDY ON THE HYDROGEN BONDING INTERACTIONS IN PARACETAMOL-WATER COMPLEXES

ABSTRACT The paracetamol-water (PA–H2O) complexes formed by hydrogen bonding interactions were investigated at the MP2/6-311++G(d,p) level. Six PA–H2O complexes possessing various types of hydrogen bonds (H–bonds) were characterized by geometries, energies, vibrational...

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Detalles Bibliográficos
Autores principales:	Xu,Meifang, Zhang,Bohai, Wang,Qi, Yuan,Yuan, Sun,Le, Huang,Zhengguo
Lenguaje:	English
Publicado:	Sociedad Chilena de Química 2018
Materias:	paracetamol hydrogen bonding interactions natural bond orbital (NBO) quantum theory of atoms in molecules (QTAIM)
Acceso en línea:	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072018000103788
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

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