Results: 144
J. Mestres, M. Duran, J. Bertrán
Ab initio electronic analysis of the hydride transfer in the [CH3-H-CH3]+ system
Theoret. Chim. Acta, 1994, 88, 325-338
DOI: 10.1007/BF01113455
Jordi Mestres, Miquel Duran, Pedro Martin-Zarza, Eduardo Medina de la Rosa, Pedro Gili
Ab initio theoretical study on geometries, chemical bonding, and infrared and electronic spectra of the M2O72- (M = chromium, molybdenum, tungsten) anions
Inorg. Chem., 1993, 32, 4708-4713
DOI: 10.1021/ic00074a011
Jordi Mestres, Miquel Duran
Intrinsic reaction coordinate of perturbed potential energy surfaces: Construction of perturbed energy profiles
Int. J. Quantum Chem., 1993, 47, 307-317
DOI: 10.1002/qua.560470404
Miquel Solà, Merce Balcells, Miquel Duran, Agusti Lledos, Juan Bertran
Valence-bond calculations on ZNO and HGO using integrals computed through the semiempiricalAM1 method
Int. J. Quantum Chem., 1992, 44, 887-895
DOI: 10.1002/qua.560440516