Structural Determination of Antioxidant and Anticancer Flavonoid Rutin in Solution through DFT Calculations of 1 H¿NMR Chemical Shifts

Título:

Structural Determination of Antioxidant and Anticancer Flavonoid Rutin in Solution through DFT Calculations of 1 H¿NMR Chemical Shifts

Autor:

Wagner Batista De Almeida

Ano:

2018

DOI:

10.1002/open.201800209

Revista:

ISSN:

21911363

Tags:

molecular conformation

1H NMR spectrum

DFT calculations

Idioma:

Português

Buscar essa publicação no Google Acadêmico

Publicações com a mesma autoria

Theoretical Investigation of the Structure and Nature of the Interaction in Metal-Alkane -Complexes of the type [M(Co)5(C2h6)] (M = Cr, Mo, W)

The Effect of Gamma-Al 2 O 3 Support on the NO Adsorption on Pd 4 Cluster

Mechanical and electrical anharmonicities in the vibrational spectra of the ethylene molecule C2H2: An ab initio study

Theoretical studies of metal complexes of anhydrotetracyclines: Interaction with Zn(II)

The Interaction of Rhodium Hydridotricarbonyl with Propene: A Theoretical Study

An AM1 study of conformational preference for the herbicide atrazine

An ab initio and Monte Carlo simulation study of the pyridine + CCl2 kinetics in gas phase and carbon tetrachloride solution using canonical flexible transition state theory

Linear Free Energy Relationship for 4-substituted (o-phenylenediammine) Platinum(II) dichloride dereivatives using Quantum Mechanical Descriptors

DFT Study of the Ligand Effects on the Regioselectivity of the Insertion Reaction of Olefins in the Complexes [HRh(CO)2(PR3)(L)] (R=H, F, Et, Ph, OEt, OPh and L= Propene, Styrene).

A computational thermodynamic evaluation of the altitude profiles of (N2)2, N2...O2 and (O2)2 in the earths atmosphere