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Results: 1-25 | 26-50
Results: 1-25/50
DENSITY-FUNCTIONAL STUDIES OF THE N-CENTER-DOT-A-SIGMA CHARGE-TRANSFER COMPLEX BETWEEN SULFUR-DIOXIDE AND CHLORINE MONOFLUORIDE
Authors: GARCIA A ELORZA JM UGALDE JM
Citation: A. Garcia et al., DENSITY-FUNCTIONAL STUDIES OF THE N-CENTER-DOT-A-SIGMA CHARGE-TRANSFER COMPLEX BETWEEN SULFUR-DIOXIDE AND CHLORINE MONOFLUORIDE, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(45), 1998, pp. 8974-8978
ALUMINUM(III) INTERACTIONS WITH THE ACIDIC AMINO-ACID CHAINS
Authors: MERCERO JM FOWLER JE UGALDE JM
Citation: Jm. Mercero et al., ALUMINUM(III) INTERACTIONS WITH THE ACIDIC AMINO-ACID CHAINS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(35), 1998, pp. 7006-7012
ON THE REACTIVITY OF TI-4,F-2) - REACTION OF TI+ WITH OH2 (VOL 102A, PG 293, 1998)((F)
Authors: IRIGORAS A FOWLER JE UGALDE JM
Citation: A. Irigoras et al., ON THE REACTIVITY OF TI-4,F-2) - REACTION OF TI+ WITH OH2 (VOL 102A, PG 293, 1998)((F), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(12), 1998, pp. 2252-2252
MOLECULAR AND ELECTRONIC-STRUCTURES OF (TIXH6)(0 -), X = B, AL, GA, COMPOUNDS/
Authors: GARCIA A MERCERO JM FOWLER JE UGALDE JM
Citation: A. Garcia et al., MOLECULAR AND ELECTRONIC-STRUCTURES OF (TIXH6)(0 -), X = B, AL, GA, COMPOUNDS/, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(11), 1998, pp. 2055-2064
ON THE REACTIVITY OF TI-4,F-2) - REACTION OF TI+ WITH OH2((F)
Authors: IRIGORAS A FOWLER JE UGALDE JM
Citation: A. Irigoras et al., ON THE REACTIVITY OF TI-4,F-2) - REACTION OF TI+ WITH OH2((F), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(1), 1998, pp. 293-300
AL-12 AND THE AL-AT-AL-12 CLUSTERS
Authors: FOWLER JE UGALDE JM
Citation: Je. Fowler et Jm. Ugalde, AL-12 AND THE AL-AT-AL-12 CLUSTERS, Physical review. A, 58(1), 1998, pp. 383-388
BOUND EXCITED-STATES OF H- AND HE- IN THE STATICALLY SCREENED COULOMBPOTENTIAL
Authors: MERCERO JM FOWLER JE SARASOLA C UGALDE JM
Citation: Jm. Mercero et al., BOUND EXCITED-STATES OF H- AND HE- IN THE STATICALLY SCREENED COULOMBPOTENTIAL, Physical review. A, 57(4), 1998, pp. 2550-2555
CLOSED-FORM ANALYTICAL SOLUTIONS FOR THE CALCULATION OF THE MOMENTS OF THE MOLECULAR ELECTRON-DENSITY
Authors: SARASOLA C ELORZA JM UGALDE JM
Citation: C. Sarasola et al., CLOSED-FORM ANALYTICAL SOLUTIONS FOR THE CALCULATION OF THE MOMENTS OF THE MOLECULAR ELECTRON-DENSITY, Journal of mathematical chemistry, 23(3-4), 1998, pp. 405-414
A SPIN-DENSITY POLARIZATION INDEX
Authors: WORSNOP SK BOYD RJ SARASOLA C UGALDE JM
Citation: Sk. Worsnop et al., A SPIN-DENSITY POLARIZATION INDEX, The Journal of chemical physics, 108(7), 1998, pp. 2824-2830
ON THE OXIDATION-STATE OF THE GUEST ATOM IN ENDOHEDRAL METALLOFULLERENE COMPLEXES
Authors: SARASOLA C ELORZA JM UGALDE JM
Citation: C. Sarasola et al., ON THE OXIDATION-STATE OF THE GUEST ATOM IN ENDOHEDRAL METALLOFULLERENE COMPLEXES, Chemical physics letters, 285(3-4), 1998, pp. 226-229
MOLECULAR AND ELECTRONIC-STRUCTURES OF TIXH6+ (X=B, AL, GA) COMPOUNDS
Authors: GARCIA A MERCERO JM UGALDE JM
Citation: A. Garcia et al., MOLECULAR AND ELECTRONIC-STRUCTURES OF TIXH6+ (X=B, AL, GA) COMPOUNDS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(33), 1997, pp. 5953-5957
AB-INITIO STUDIES OF ALTERNANT X2Y2 RINGS (X=N, P, AS, AND SB AND Y=O, S, SE, AND TE) - PLANAR VERSUS BUTTERFLY STRUCTURES
Authors: MERCERO JM LOPEZ X FOWLER JE UGALDE JM
Citation: Jm. Mercero et al., AB-INITIO STUDIES OF ALTERNANT X2Y2 RINGS (X=N, P, AS, AND SB AND Y=O, S, SE, AND TE) - PLANAR VERSUS BUTTERFLY STRUCTURES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(30), 1997, pp. 5574-5579
REACTION OF P-3) WITH METHYLAMINE - A DETAILED STUDY OF THE POTENTIAL-ENERGY SURFACE AND REACTION-MECHANISMS( (P)
Authors: CRUZ EM FOWLER JE LOPEZ X UGALDE JM
Citation: Em. Cruz et al., REACTION OF P-3) WITH METHYLAMINE - A DETAILED STUDY OF THE POTENTIAL-ENERGY SURFACE AND REACTION-MECHANISMS( (P), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(26), 1997, pp. 4807-4813
DENSITY-FUNCTIONAL STUDIES OF THE B-PI.A-SIGMA CHARGE-TRANSFER COMPLEX FORMED BETWEEN ETHYNE AND CHLORINE MONOFLUORIDE
Authors: GARCIA A CRUZ EM SARASOLA C UGALDE JM
Citation: A. Garcia et al., DENSITY-FUNCTIONAL STUDIES OF THE B-PI.A-SIGMA CHARGE-TRANSFER COMPLEX FORMED BETWEEN ETHYNE AND CHLORINE MONOFLUORIDE, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(16), 1997, pp. 3021-3024
G2 STUDY OF THE TRIPLET AND SINGLET [H-3,P-2](-ENERGY SURFACES - MECHANISMS FOR THE REACTION OF P+(D-1,P-3) WITH PH3() POTENTIAL)
Authors: CRUZ EM LOPEZ X AYERBE M UGALDE JM
Citation: Em. Cruz et al., G2 STUDY OF THE TRIPLET AND SINGLET [H-3,P-2](-ENERGY SURFACES - MECHANISMS FOR THE REACTION OF P+(D-1,P-3) WITH PH3() POTENTIAL), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(11), 1997, pp. 2166-2172
TRANSITION ENERGIES AND EMISSION OSCILLATOR-STRENGTHS OF HELIUM IN MODEL PLASMA ENVIRONMENTS
Authors: LOPEZ X SARASOLA C UGALDE JM
Citation: X. Lopez et al., TRANSITION ENERGIES AND EMISSION OSCILLATOR-STRENGTHS OF HELIUM IN MODEL PLASMA ENVIRONMENTS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(10), 1997, pp. 1804-1807
ATOMIC AND MOLECULAR BOUND GROUND-STATES OF THE YUKAWA POTENTIAL
Authors: UGALDE JM SARASOLA C LOPEZ X
Citation: Jm. Ugalde et al., ATOMIC AND MOLECULAR BOUND GROUND-STATES OF THE YUKAWA POTENTIAL, Physical review. A, 56(2), 1997, pp. 1642-1645
G2 STUDY OF TRIPLET [H-4,SI,P](-ENERGY SURFACE - MECHANISM FOR REACTION OF P+(P-3) WITH SILANE() POTENTIAL)
Authors: CRUZ EM LOPEZ X SAROBE M COSSIO FP UGALDE JM
Citation: Em. Cruz et al., G2 STUDY OF TRIPLET [H-4,SI,P](-ENERGY SURFACE - MECHANISM FOR REACTION OF P+(P-3) WITH SILANE() POTENTIAL), Journal of computational chemistry, 18(1), 1997, pp. 9-19
PROPERTIES OF SOME WEAKLY-BOUND COMPLEXES OBTAINED WITH VARIOUS DENSITY FUNCTIONALS
Authors: GARCIA A CRUZ EM SARASOLA C UGALDE JM
Citation: A. Garcia et al., PROPERTIES OF SOME WEAKLY-BOUND COMPLEXES OBTAINED WITH VARIOUS DENSITY FUNCTIONALS, Journal of molecular structure. Theochem, 397, 1997, pp. 191-197
ABSENCE OF A THRESHOLD EFFECT IN THE ENERGY-LOSS OF SLOW PROTONS TRAVERSING LARGE-BAND-GAP INSULATORS
Authors: EDER K SEMRAD D BAUER P GOLSER R MAIERKOMOR P AUMAYR F PENALBA M ARNAU A UGALDE JM ECHENIQUE PM
Citation: K. Eder et al., ABSENCE OF A THRESHOLD EFFECT IN THE ENERGY-LOSS OF SLOW PROTONS TRAVERSING LARGE-BAND-GAP INSULATORS, Physical review letters, 79(21), 1997, pp. 4112-4115
EVALUATION OF SCREENED NUCLEAR ATTRACTION AND ELECTRON REPULSION MOLECULAR INTEGRALS OVER GAUSSIAN-BASIS FUNCTIONS
Authors: UGALDE JM SARASOLA C
Citation: Jm. Ugalde et C. Sarasola, EVALUATION OF SCREENED NUCLEAR ATTRACTION AND ELECTRON REPULSION MOLECULAR INTEGRALS OVER GAUSSIAN-BASIS FUNCTIONS, International journal of quantum chemistry, 62(3), 1997, pp. 273-278
BOUND ELECTRONIC STATES IN A STATICALLY SCREENED ELECTRIC-DIPOLE POTENTIAL
Authors: UGALDE JM SARASOLA C
Citation: Jm. Ugalde et C. Sarasola, BOUND ELECTRONIC STATES IN A STATICALLY SCREENED ELECTRIC-DIPOLE POTENTIAL, Physical review. A, 54(4), 1996, pp. 2868-2873
PERFORMANCE OF BECKE EXCHANGE FUNCTIONAL FITTED FOR GAUSSIAN-BASIS SETS
Authors: GARCIA A CRUZ EM SARASOLA C UGALDE JM
Citation: A. Garcia et al., PERFORMANCE OF BECKE EXCHANGE FUNCTIONAL FITTED FOR GAUSSIAN-BASIS SETS, Journal of molecular structure. Theochem, 363(3), 1996, pp. 279-290
ON THE MOLECULAR AND ELECTRONIC-STRUCTURES OF THE H3TITIH3 SPECIES
Authors: GARCIA A UGALDE JM
Citation: A. Garcia et Jm. Ugalde, ON THE MOLECULAR AND ELECTRONIC-STRUCTURES OF THE H3TITIH3 SPECIES, Journal of physical chemistry, 100(30), 1996, pp. 12277-12279
AB-INITIO CHARACTERIZATION OF GASEOUS (HNP(O)(O)C)(+) SPECIES
Authors: IRIGORAS A COSSIO FP SARASOLA C UGALDE JM
Citation: A. Irigoras et al., AB-INITIO CHARACTERIZATION OF GASEOUS (HNP(O)(O)C)(+) SPECIES, Journal of physical chemistry, 100(21), 1996, pp. 8758-8762
Risultati: 1-25 | 26-50