Gaussian- and Slater-type bases for ground and certain low-lying excited states of positive and negative ions of the atoms H through Xe based on the generator coordinate Hartree-Fo... von Silva, A.B.F. da, Trsic, M

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The generator coordinate method in the unrestricted Hartree-Fock formalism von Angelotti, W. F. D., Haiduke, R. L. A., Trsic, M.

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A Griffin-Hill-Wheeler version of the Hartree-Fock equations von Mohallem, J. R., Dreizler, R. M., Trsic, M.

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Electronic spectra of metal phthalocyanines and configuration interaction ZINDO calculations for tetra-azaporphyrin complexes with the first transition metal series von de A. Soares, L., Trsic, M., Berno, Bob, Aroca, Ricardo

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A universal Gaussian basis set for atoms Li through Ne based on a generator coordinate version of the Hartree-Fock equations von MOHALLEM, J. R, TRSIC, M

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Universal gaussian and Slater-type bases for atoms H to Xe based on the generator coordinate Hartree-Fock method: I. ground and certain low-lying excited states of the neutral atom... von da Silva, A.B.F., da Costa, H.F.M., Trsic, M.

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The generator coordinate Hartree-Fock method for molecular systems. Formalism and first applications to H2, LiH and Li2 von da Costa, H.F.M., da Silva, A.B.F., Mohallem, J.R., Simas, A.M., Trsic, M.

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A docking approach for the deposition of perylene derivatives on a water surface von Oliveira, Cı́ntia Beatriz, Caracelli, Ignez, Trsic, Milan

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The electronic structure of metallated phthalocyanine-NO2 adducts von ROUSSEAU, R, OZAROWSKI, A, AROCA, R, SOARES, L. DE A. II, TRSIC, M

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Crystal and molecular structure of [n-Bu4N+][S3N3-] and the vibrational assignments and electronic structure of the planar six-membered ring of the trisulfur trinitride anion von Bojes, J, Chivers, T, Laidlaw, W. G, Trsic, M

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Synthesis and crystal and molecular structure of [(Ph3P)2N+][S4N-] and the electronic structure of the planar acyclic anion, S4N von Chivers, T, Laidlaw, W. G, Oakley, R. T, Trsic, M

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Synthesis and structure of salts of the bicyclic sulfur-nitrogen cation S4N5+ and a comparison of the electronic structures of the tetrasulfur pentanitride(1+) and -(1-) ions von Chivers, T, Fielding, L, Laidlaw, W. G, Trsic, M

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Application of the ab initio Hartree-Fock-Slater method to the calculation of molecular conformations: Ozone and thiozone von Laidlaw, W.G., Trsic, M.

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The use of the hartree-fock-slater eigenvalues to estimate excitation and ionization energies in sulfur-nitrogen compounds von Trsic, M., Laidlaw, W. G.

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Contracted Gaussian bases for the first-row atoms applied to neutral and charged diatomic molecules von Pinheiro, J.C., Trsic, M., da Silva, A.B.F.

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Quantum chemical semiempirical and photophysical study of the charge transfer complex between pyrene and benzylviologen von Matos, M.S, Gehlen, M.H, Trsic, M

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The molecular orbital description of the trisulfur trinitride anion von Chivers, T., Laidlaw, W.G., Oakley, R.T., Trsic, M.

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The generator coordinate Hartree-Fock method applied to the choice of a contracted gaussian basis for first-row atoms von Pinheiro, J.C., da Silva, A.B.F., Trsic, M.

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Singlet and triplet excited state electric dipole polarizabilities of conjugated hydrocarbons von Trsic, M., Sanhueza, J. E., Espinoza, Ll

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A correlation between geometric features and analgesic activity for a series of cannabinoid compounds von da Silva, Saulo L., Arroio, Agnaldo, da Silva, Albérico B.F., Trsic, Milan

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