Publications by authors named "Helio Duarte"

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Benzocaine complexation with p-sulfonic acid calix[n]arene: experimental ((1) H-NMR) and theoretical approaches.
Chem Biol Drug Des 2014 May 14;83(5):550-9. Epub 2014 Mar 14.
Grupo de Química Supramolecular e Biomimética (GQSB), Departamento de Química, Universidade Federal de Viçosa (UFV), Viçosa, Brazil, 36570-000.

Chemical speciation of metal complexes from chemical shift calculations: the interaction of 2-amino-N-hydroxypropanamide with V(V) in aqueous solution.
J Phys Chem B 2013 Oct 11;117(39):11670-80. Epub 2013 Sep 11.
Grupo de Pesquisa em Química Inorgânica Teórica-GPQIT, Departamento de Química, ICEx, Universidade Federal de Minas Gerais , 31.270-901 Belo Horizonte, MG, Brazil.

Dynamical discrete/continuum linear response shells theory of solvation: convergence test for NH4+ and OH- ions in water solution using DFT and DFTB methods.
J Phys Chem B 2010 Dec 15;114(48):15941-7. Epub 2010 Nov 15.
Grupo de Pesquisa em Química Inorgânica Teórica (GPQIT), Departamento de Química, ICEx, Universidade Federal de Minas Gerais, 31270-901, Belo Horizonte, MG, Brazil.

Study of angiotensin-(1-7) vasoactive peptide and its beta-cyclodextrin inclusion complexes: complete sequence-specific NMR assignments and structural studies.
Peptides 2007 Nov 19;28(11):2199-210. Epub 2007 Aug 19.
Departamento de Química, Instituto de Ciências Exatas, Universidade Federal de Minas Gerais, Av. Antonio Carlos 6627, 31270-901 Belo Horizonte, Minas Gerais, Brazil.

An Efficient a Posteriori Treatment for Dispersion Interaction in Density-Functional-Based Tight Binding.
J Chem Theory Comput 2005 Sep;1(5):841-7
Institut für Physikalische Chemie und Elektrochemie, TU Dresden, D-01062 Dresden, Germany, Steacie Institute for Molecular Sciences, NRC, 100 Sussex Dr., Ottawa, Ontario K1A 0R6, Canada, and Departamento de Química-ICEx, Universidade Federal de Minas Gerais, 31270-901 Belo Horizonte, Brazil.