Dimensional scaling of local pseudopotentialsGOSCINSKI, O; HÄGG, L.Journal of molecular structure. Theochem. 1993, Vol 287, pp 17-21, issn 0166-1280Conference Paper

Calculation of molecular magnetic properties in the isoelectronic series PH₂^-, PH₃ and PH₄⁺CAPUTO, M. C; FERRARO, M. B; BOCHICCHIO, R. C et al.Journal of molecular structure. Theochem. 1993, Vol 287, pp 77-88, issn 0166-1280Conference Paper

Modelling nucleophilic attack on β-lactam antibiotics. A PM3 studySMEYERS, Y. G; HERNANDEZ-LAGUNA, A; GONZALEZ-JONTE, R et al.Journal of molecular structure. Theochem. 1993, Vol 287, pp 261-268, issn 0166-1280Conference Paper

Application of orbital momentum properties to the analysis of the quality of basis setsGARCIA DE LA VEGA, J. M; MIGUEL, B.Journal of molecular structure. Theochem. 1993, Vol 287, pp 39-46, issn 0166-1280Conference Paper

Cationic exchange in porous media : effect of the pHVILLEGAS-FEBRES, J. C; OLIVARES, W.Journal of molecular structure. Theochem. 1993, Vol 287, pp 275-280, issn 0166-1280Conference Paper

Importance of the excited states of transition metal atoms for catalytic and photocatalytic processesNOVARO, O.Journal of molecular structure. Theochem. 1993, Vol 287, pp 217-227, issn 0166-1280Conference Paper

MBPT study of the CO-H₂ van der Waals interactionSALAZAR, M. C; HERNANDEZ, A. J; DIERCKSEN, G. H. F et al.Journal of molecular structure. Theochem. 1993, Vol 287, pp 139-147, issn 0166-1280Conference Paper

The half-projected Hartree-Fock method : some new aspectsCASTANO, O; SMEYERS, Y. G; RUIZ, M.-B et al.Journal of molecular structure. Theochem. 1993, Vol 287, pp 55-61, issn 0166-1280Conference Paper

Topological connection between the hydrogen atom and a non-linear field in four dimensionsMARANON, J.Journal of molecular structure. Theochem. 1993, Vol 287, pp 23-27, issn 0166-1280Conference Paper

A generalized valence bond + configuration interaction description of the P₂O moleculeBLASZKOWSKI, S. R; NASCIMENTO, M. A. C.Journal of molecular structure. Theochem. 1993, Vol 287, pp 67-75, issn 0166-1280Conference Paper

A spectroscopic study of ground state of lithium hydride with the HPHF modelFERNANDEZ-SERRA, P; SMEYERS, Y. G; GALANO, A et al.Journal of molecular structure. Theochem. 1993, Vol 287, pp 107-110, issn 0166-1280Conference Paper

Molecular dynamics simulation of the structure of the catalytic system La₂O₃-γ-Al₂O₃ALVAREZ, L. J; FERNANDEZ SANZ, J; CAPITAN, M. J et al.Journal of molecular structure. Theochem. 1993, Vol 287, pp 161-166, issn 0166-1280Conference Paper

Theoretical calculation of the reaction mechanism between ammonia and formaldehydeOSPINA, E; VILLAVECES, J. L.Journal of molecular structure. Theochem. 1993, Vol 287, pp 201-209, issn 0166-1280Conference Paper

Theoretical description of the absorption spectra of solid and liquid benzeneCOUTINHO, K; CANUTO, S.Journal of molecular structure. Theochem. 1993, Vol 287, pp 99-106, issn 0166-1280Conference Paper

Ab initio calculations of isotropic hyperfine coupling constants in β-ketoenolyl radicalsFORTUNELLI, A; SALVETTI, O.Journal of molecular structure. Theochem. 1993, Vol 287, pp 89-92, issn 0166-1280Conference Paper

Local density expressions for the correlation energy of atomsBOADA, R. L; MALDONADO, J. E; KARASIOV, V. V et al.Journal of molecular structure. Theochem. 1993, Vol 287, pp 11-15, issn 0166-1280Conference Paper

The σ-bond oxidative addition from the perspective of the localized reactant configuration approachRINCON, L; BOVES, M.Journal of molecular structure. Theochem. 1993, Vol 287, pp 211-215, issn 0166-1280Conference Paper

18th International congress of theoretical chemists of latin expression: [selected papers], La Plata, Argentina, 23-28 September 1989SMEYERS, Yves G; CASTRO, Eduardo A; ORVILLE-THOMAS, W. J et al.Journal of molecular structure. Theochem. 1990, Vol 210, issn 0166-1280, 493 p.Conference Proceedings

An AM1 analysis of hydrogen bonds in the TOPA quinone cofactor of amine oxidasesBOSSA, M; BRAHIMI, M; MORPURGO, G. O et al.Journal of molecular structure. Theochem. 1993, Vol 287, pp 269-273, issn 0166-1280Conference Paper

Calculation of the dimension of full configuration interaction spaces : application to the determination of spectroscopic termsTORRE, A; LAIN, L; MILLAN, J et al.Journal of molecular structure. Theochem. 1993, Vol 287, pp 63-66, issn 0166-1280Conference Paper

Exchange energy functional from a Pauli correlation-factor modelFUENTEALBA, P.Journal of molecular structure. Theochem. 1993, Vol 287, pp 35-38, issn 0166-1280Conference Paper

The semiempirical challenge for the calculation of molecular hyperpolarizabilitiesHAMMOUTENE, D; BOUCEKKINE, G; BOUCEKKINE, A et al.Journal of molecular structure. Theochem. 1993, Vol 287, pp 93-97, issn 0166-1280Conference Paper

Theoretical study of the spectroscopic and conducting properties of 4,4'-bipyridine and its protonated and reduced speciesPIS DIEZ, R; JUBERT, A. H; OTTAVIANELLI, E et al.Journal of molecular structure. Theochem. 1993, Vol 287, pp 241-247, issn 0166-1280Conference Paper

An AM1 study of the molecules of [10]annulene and [12]annuleneHERNANDO, J. M; ENRIQUEZ, F; QUIRANTE, J. J et al.Journal of molecular structure. Theochem. 1993, Vol 287, pp 131-138, issn 0166-1280Conference Paper

Conformational equilibria of 5-substituted 1,3-dioxanes. Study of solvent effectsAPAYDIN, G; VARNALI, T; AVIYENTE, V et al.Journal of molecular structure. Theochem. 1993, Vol 287, pp 185-191, issn 0166-1280Conference Paper