Calculation of the nonlinear optical properties of molecules

QSAR Modeling of Genotoxicity onNon-congeneric Sets of Organic Compounds

Artificial Intelligence Review

PLS prediction of hyperpolarizabilities for donor-bridge-acceptor organic systems

Journal of Computational Methods in Sciences and Engineering - Computational aspects of electric polarizability calculations: Atoms, Molecules and clusters, Part I

Molecular electric properties of nitrogen heterocycles

Journal of Computational Methods in Sciences and Engineering

Theoretical study of the linear and nonlinear optical properties of the Photosensibilizer molecules: Photofrin and foscan in gas phase

Journal of Computational Methods in Sciences and Engineering - II Congress of Theoretical and Computational Physical Chemistry, Choroni, Venezuela, 2008

DFT and MP2 calculations of the static dipole hyperpolarizabilities of DAAD Quadrupolar Molecules

Journal of Computational Methods in Sciences and Engineering - II Congress of Theoretical and Computational Physical Chemistry, Choroni, Venezuela, 2008

Gaussian basis sets for ab initio calculation of NLO properties of polyatomic molecules

Journal of Computational Methods in Sciences and Engineering - Atomic and molecular nonlinear optics: Theory, Experiment and Computation A homage to the pioneering work of Stanisław Kielich (1925-1993)

Ab initio and DFT study of the static dipole (hyper)polarizabilities of benzaldehyde and thio-benzaldehyde molecules in gas phase

Journal of Computational Methods in Sciences and Engineering - Atomic and molecular nonlinear optics: Theory, Experiment and Computation A homage to the pioneering work of Stanisław Kielich (1925-1993)