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A pentacyclic triterpene from Maytenus imbricata: structure elucidation by X-ray crystallography
(Structural Chemistry, 2018)
An introduction to dispersive interactions
(IOP Publishing, 2021)
An application of chemometric techniques to analyze the effects of the wave function modifications on the intermolecular stretching frequencies of the hydrogen-bonded complexes
(Elsevier Science BvAmsterdamHolanda, 2004)
Experimental and theoretical investigation of molecular structure and conformation of the 4-isopropylthioxanthone
(Elsevier BVAmsterdam, 2011-08)
In this study, the molecular structure and conformational analyses of the 4-isopropylthioxanthone (4-ITX) are reported according to experimental and theoretical results. The compound crystallizes in the centrosymmetric ...
Intermolecular interactions, spectroscopic and theoretical investigation of 4-aminoacetophenone
(Science Publishing Corporation, 2019-05)
The molecular structure of 4-aminoacetophenone (PAAP) was determined by DFT calculations using different basis sets. The structural parameters, electronic properties and vibrational wavenumbrers of the optimized geometry ...
Structural relationships in the solid state of the anti-chagas agent (E)-phenylethenylbenzofuroxan
(SPRINGER, 2010)
The crystal structure and the vibrational spectrum of a potential drug for Chagas`s disease treatment, the (E)-isomer of phenylethenylbenzofuroxan 1 (5(6)(E)-[(2-phenylethenyl)]benzo[1,2-c]1,2,5-oxadiazole N-oxide), are ...