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

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

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

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

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 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

Electrostatic solvent effect on the ketene-imine cycloaddition reactionASSFELD, X; SORDO, J. A; GONZALEZ, J et al.Journal of molecular structure. Theochem. 1993, Vol 287, pp 193-199, issn 0166-1280Conference Paper

Hypervirial perturbative method and periodic boundary conditionsFERNANDEZ, F. M; CASTRO, E. A.Journal of molecular structure. Theochem. 1993, Vol 287, pp 29-33, issn 0166-1280Conference Paper

Laser-enhanced Lyα emission from H⁺Li(2p_m) collisionsSALAS, P; WAHNON, P.Journal of molecular structure. Theochem. 1993, Vol 287, pp 249-252, issn 0166-1280Conference Paper

Vibrational spectra and molecular force field of the CF₃C≡N and CF₃C≡CH moleculesANACONA, J. R; ALFONZO, P. N.Journal of molecular structure. Theochem. 1993, Vol 287, pp 111-116, issn 0166-1280Conference Paper

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 in vacuo of the first step of the reversible aldol cleavage catalyzed by aldolase from rabbit muscleALAGONA, G; GHIO, C.Journal of molecular structure. Theochem. 1993, Vol 287, pp 253-259, issn 0166-1280Conference Paper

The cluster model configuration interaction approach to the study of chemisorption on metal and semiconductor surfacesILLAS, F; RUBIO, J; RICART, J. M et al.Journal of molecular structure. Theochem. 1993, Vol 287, pp 167-178, issn 0166-1280Conference Paper

An ab initio study of the tautomeric equilibria of the N-oxides of hydroxypyridines in the vapour phaseLA MANNA, G; BIONDI, F.Journal of molecular structure. Theochem. 1993, Vol 287, pp 127-129, issn 0166-1280Conference Paper