José Walkimar de M Carneiro

New copper(II)-radical one dimensional chain: Synthesis, crystal structure, EPR, magnetic properties and DFT calculations.

C. Sangregorio, M. Vaz, M. Novak, 2009, Dalton transactions.

Interaction between alkaline earth cations and oxo ligands: a DFT study of the affinity of Mg2+ for carbonyl ligands

S. Stoyanov, José Walkimar de M Carneiro, Leonardo Moreira da Costa, 2012, Journal of Molecular Modeling.

Computational study of the effect of dispersion interactions on the thermochemistry of aggregation of fused polycyclic aromatic hydrocarbons as model asphaltene compounds in solution.

A. Kovalenko, P. Seidl, S. Gusarov, 2014, The journal of physical chemistry. A.

Computational study of the effect of dispersion interactions on the thermochemistry of aggregation of fused polycyclic aromatic hydrocarbons as model asphaltene compounds in solution.

A. Kovalenko, P. Seidl, S. Gusarov, 2014, The journal of physical chemistry. A.