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Results: 25
Authors:
KIENINGER M
SUHAI S
VENTURA ON
Citation: M. Kieninger et al., GLYCINE CONFORMATIONS - GRADIENT-CORRECTED DFT-STUDIES, Journal of molecular structure. Theochem, 433, 1998, pp. 193-201
Authors:
KIENINGER M
IRVING K
RIVASSILVA F
PALMA A
VENTURA ON
Citation: M. Kieninger et al., DENSITY-FUNCTIONAL AND AB-INITIO STUDY OF THE FREE-RADICAL MGNC, Journal of molecular structure. Theochem, 422, 1998, pp. 133-141
Authors:
VENTURA ON
Citation: On. Ventura, ACCUMODEL-VL.1 FOR WINDOWS-95, Journal of chemical information and computer sciences, 38(4), 1998, pp. 768-770
Authors:
KIENINGER M
VENTURA ON
SUHAI S
Citation: M. Kieninger et al., DENSITY-FUNCTIONAL INVESTIGATIONS OF CARBOXYL FREE-RADICALS - FORMYLOXYL, ACETYLOXYL, AND BENZOYLOXYL RADICALS, International journal of quantum chemistry, 70(2), 1998, pp. 253-267
Authors:
KIENINGER M
SEGOVIA M
VENTURA ON
Citation: M. Kieninger et al., A DISCREPANCY BETWEEN EXPERIMENTAL AND THEORETICAL THERMOCHEMICAL CHARACTERIZATION OF SOME OXYGEN FLUORIDES, Chemical physics letters, 287(5-6), 1998, pp. 597-600
Authors:
KREMER C
GANCHEFF J
KREMER E
MOMBRU AW
GONZALEZ O
MARIEZCURRENA R
SUESCUN L
CUBAS ML
VENTURA ON
Citation: C. Kremer et al., STRUCTURAL AND CONFORMATIONAL-ANALYSIS OF TC-V AND RE-V DIOXO COMPLEXES - X-RAY CRYSTAL-STRUCTURE OF [TCO2(TN)(2)]I-CENTER-DOT-H2O, Polyhedron, 16(19), 1997, pp. 3311-3316
Authors:
KIENINGER M
VENTURA ON
Citation: M. Kieninger et On. Ventura, EQUILIBRIUM STRUCTURE OF THE CARBON-DIOXIDE WATER COMPLEX IN THE GAS-PHASE - AN AB-INITIO AND DENSITY-FUNCTIONAL STUDY, Journal of molecular structure. Theochem, 390, 1997, pp. 157-167
Authors:
VENTURA ON
KIENINGER M
CERNUSAK I
Citation: On. Ventura et al., AN ANALYSIS OF DIPOLE POLARIZABILITIES USING DENSITY-FUNCTIONAL THEORY - N-2, H-2, F- AND HF, Journal of molecular structure, 437, 1997, pp. 489-501
Authors:
KARWOWSKI J
VENTURA ON
BANCEWICZ M
Citation: J. Karwowski et al., DENSITY OF LEVELS IN VIBRATIONAL-SPECTRA OF MOLECULES, International journal of quantum chemistry, 63(4), 1997, pp. 835-842
Authors:
SEGOVIA M
VENTURA ON
Citation: M. Segovia et On. Ventura, DENSITY-FUNCTIONAL AND G2 STUDY OF THE STRENGTH OF THE OH BOND IN CF3OH, Chemical physics letters, 277(5-6), 1997, pp. 490-496
Authors:
VENTURA ON
KIENINGER M
COITINO EL
Citation: On. Ventura et al., DENSITY-FUNCTIONAL STUDY OF ISOMERIZATION OF FLUOROFORMALDEHYDE AND CHLOROFORMALDEHYDE RADICAL CATIONS, Journal of computational chemistry, 17(11), 1996, pp. 1309-1317
Authors:
VENTURA ON
Citation: On. Ventura, TRANSITION-STATES FOR HYDROGEN RADICAL REACTIONS - LIFH AS A STRINGENT TEST-CASE FOR DENSITY-FUNCTIONAL METHODS, Molecular physics, 89(6), 1996, pp. 1851-1870
Authors:
FERREIRA E
GARDIOL P
SOSA RM
VENTURA ON
Citation: E. Ferreira et al., AB-INITIO MP2, MCSCF AND MR-SDCI STUDY ON THE STRUCTURE OF O-4 AND COMPARISON WITH THE HYPERVALENT CO3 AND SO3 SPECIES, Journal of molecular structure. Theochem, 335, 1995, pp. 63-68
Authors:
VENTURA ON
LATAJKA Z
RATAJCZAK H
ORVILLETHOMAS WJ
Citation: On. Ventura et al., ON THE STRUCTURE OF THE B-3(1) EXCITED-STATE OF WATER, Journal of molecular structure. Theochem, 334(2-3), 1995, pp. 127-136
GAS-PHASE STRUCTURE AND ACIDITY OF FORMOHYDROXAMIC ACID AND FORMAMIDE- A COMPARATIVE AB-INITIO STUDY
Authors:
VENTURA ON
RAMA JB
TURI L
DANNENBERG JJ
Citation: On. Ventura et al., GAS-PHASE STRUCTURE AND ACIDITY OF FORMOHYDROXAMIC ACID AND FORMAMIDE- A COMPARATIVE AB-INITIO STUDY, Journal of physical chemistry, 99(1), 1995, pp. 131-136
Authors:
COITINO EL
PEREIRA A
VENTURA ON
Citation: El. Coitino et al., HIGH-LEVEL AB-INITIO PREDICTION OF THE STRUCTURE AND INFRARED-SPECTRAOF FORMALDEHYDE WATER RADICAL-CATION COMPLEXES, The Journal of chemical physics, 102(7), 1995, pp. 2833-2840
Authors:
VENTURA ON
KIENINGER M
Citation: On. Ventura et M. Kieninger, THE FO2 RADICAL - A NEW SUCCESS OF DENSITY-FUNCTIONAL THEORY, Chemical physics letters, 245(4-5), 1995, pp. 488-497
Authors:
COITINO EL
TOMASI J
VENTURA ON
Citation: El. Coitino et al., IMPORTANCE OF WATER IN ALDOL CONDENSATION-REACTIONS OF ACETALDEHYDE, Journal of the Chemical Society. Faraday transactions, 90(12), 1994, pp. 1745-1755
Authors:
PEREIRA A
COITINO EL
VENTURA ON
Citation: A. Pereira et al., AB-INITIO STUDY OF THE STRUCTURE OF RADICAL CATIONS DERIVED FROM H-BONDED COMPLEXES - A COMPARISON BETWEEN [H2CO-CENTER-DOT-H2O](-DOT) AND [H2CO-CENTER-DOT-HF](+CENTER-DOT)(CENTER), Journal of molecular structure. Theochem, 120(1-2), 1994, pp. 31-38
Authors:
VILA F
VENTURA ON
VARELA JA
LONGO E
Citation: F. Vila et al., AN AM1 SEMIEMPIRICAL STUDY OF THE MECHANISM OF SINTERING FOR ZNO IN THE PRESENCE OF WATER AND CARBON-DIOXIDE, Journal of molecular structure. Theochem, 111, 1994, pp. 175-184
Authors:
VENTURA ON
IRVING K
LATAJKA Z
Citation: On. Ventura et al., THE DIMERIZATION SHIFT OF THE OH-STRETCHING FUNDAMENTALS OF THE WATERDIMER, Chemical physics letters, 217(4), 1994, pp. 436-442
Authors:
KARWOWSKI J
BANCEWICZ M
VENTURA ON
DIERCKSEN GHF
Citation: J. Karwowski et al., MOMENTS OF ENERGY-LEVEL DISTRIBUTIONS IN VIBRATIONAL-SPECTRA, Journal of physics. A, mathematical and general, 26(20), 1993, pp. 5581-5593
Authors:
SOSA RM
GARDIOL P
VENTURA ON
Citation: Rm. Sosa et al., MULTIREFERENCE CONFIGURATION-INTERACTION CALCULATION OF THE POTENTIAL-ENERGY CURVES FOR O-H BOND BREAKING IN THE GROUND AND LOWEST EXCITED-STATES OF THE WATER MONOMER AND DIMER, Journal of molecular structure, 297, 1993, pp. 337-345
Authors:
COITINO EL
LLEDOS A
SERRA R
BERTRAN J
VENTURA ON
Citation: El. Coitino et al., AB-INITIO STUDY OF STRUCTURE AND REACTIVITY OF H2CO.H2O-CENTER-DOT+ AND RELATED RADICAL CATIONS, Journal of the American Chemical Society, 115(20), 1993, pp. 9121-9126
Authors:
VENTURA ON
RAMA JB
TURI L
DANNENBERG JJ
Citation: On. Ventura et al., ACIDITY OF HYDROXAMIC ACIDS - AN AB-INITIO AND SEMIEMPIRICAL STUDY, Journal of the American Chemical Society, 115(13), 1993, pp. 5754-5761
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