A. B. Carvalho

发表

DFT calculations on the cyclic ethers hydrogen-bonded complexes: molecular parameters and the non-linearity of the hydrogen bond.

M. N. Ramos, B. G. Oliveira, R. D. Araújo, 2007, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Theoretical calculations of the substituent effect on molecular properties of the RCN⋯HF hydrogen-bonded complexes with R = NH2, CH3O, CH3, OH, SH, H, Cl, F, CF3, CN and NO2

E. Ventura, R. C. A. Araújo, A. B. Carvalho, 2009 .

AGOA hydration clusters produce the solvation effect on the aziridine hydrofluoric acid complex — A modern proposal

R. C. A. Araújo, B. G. Oliveira, A. B. Carvalho, 2010 .

Hydrogen bonds determine the structures of the ternary heterocyclic complexes C2H4O···2HF, C2H5N···2HF and C2H4S···2HF: density functional theory and topological calculations

B. G. Oliveira, R. D. Araújo, A. B. Carvalho, 2011, Journal of molecular modeling.

The molecular properties of heterocyclic and homocyclic hydrogen-bonded complexes evaluated by DFT calculations and AIM densities

Regiane C. M. U. Araújo, B. G. Oliveira, R. D. Araújo, 2009, Journal of molecular modeling.

A chemometrical study of intermolecular properties of hydrogen-bonded complexes formed by C2H4O⋅⋅⋅HX and C2H5N⋅⋅⋅HX with X = F, CN, NC, and CCH

B. G. Oliveira, R. D. Araújo, A. B. Carvalho, 2009, Journal of molecular modeling.

A theoretical study of dihydrogen bonds in small protonated rings: aziridine and azetidine cations.

B. G. Oliveira, R. D. Araújo, A. B. Carvalho, 2010, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Small heterocyclics as hydrogen bond acceptors and donors: the case of the C2H3XS···NH3 complexes (X = H, F and CH3)

B. G. Oliveira, R. D. Araújo, A. B. Carvalho, 2009 .

The electronic structure of the C2H4O···2HF tri-molecular heterocyclic hydrogen-bonded complex: a theoretical study

B. G. Oliveira, R. D. Araújo, A. B. Carvalho, 2008, Journal of molecular modeling.

HETEROCYCLIC HYDROGEN BONDED COMPLEXES INVOLVING THREE AND FIVE MEMBERS: A QUANTUM CHEMICAL STUDY ABOUT THE CASE OF THE NONLINEARITY ON THE HYDROGEN BONDING

B. G. Oliveira, R. D. Araújo, A. B. Carvalho, 2007 .

An energetic quantification of inter–intramolecular interactions in the C2H2–2HF and C2H4O–2HF trimolecular hydrogen bonded complexes: DFT calculations and AIM topological parameters

B. G. Oliveira, R. D. Araújo, A. B. Carvalho, 2007 .

Theoretical study of cooperative effects in the homo‐ and heteromeric hydrogen bond chains (HCN)nHF with n = 1, 2, and 3

E. Ventura, R. C. A. Araújo, B. G. Oliveira, 2006 .

A theoretical study of nonlinearity in heterocyclic hydrogen-bonded complexes.

R. C. A. Araújo, B. G. Oliveira, A. B. Carvalho, 2005, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

An MP2 and DFT study of heterocyclic hydrogen complexes CnHmY-HX with n=2, m=4 or 5, Y=O, S or N and X=F or Cl.

R. C. A. Araújo, B. G. Oliveira, A. B. Carvalho, 2004, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

The hydrogen bond in the acetylene-2(HF) complex: A theoretical study about intramolecular and unusual π⋯H interactions using DFT and AIM calculations

Regiane C. M. U. Araújo, B. G. Oliveira, R. D. Araújo, 2006 .

Preparation, characterization, electrochemical studies and crystal structure determination of salicylaldehyde–aroylhydrazone, ferrocenyl–aroylhydrazone and salicylaldehyde–ferrocenoylhydrazone complexes of indium

L. Weng, Yaofeng Yuan, A. B. Carvalho, 2001 .

A theoretical study of the solvent effects in ethylene oxide: Hydrofluoric acid complex using continuum and new discrete models

Regiane C. M. U. Araújo, M. Hernandes, B. G. Oliveira, 2007 .

A chemometrical study of intermolecular properties of hydrogen-bonded complexes formed by C2H4O⋅⋅⋅HX and C2H5N⋅⋅⋅HX with X = F, CN, NC, and CCH

Regiane C. M. U. Araújo, B. G. Oliveira, A. B. Carvalho, 2009, Journal of molecular modeling.