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Results:
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Results: 24
Authors:
CIVALLERI B
GARRONE E
UGLIENGO P
Citation: B. Civalleri et al., AB-INITIO STUDY OF THE ADDUCTS OF SMALL MOLECULES WITH THE ISOLATED HYDROXYL OF SILICA AND THE BRONSTED SITE IN ZEOLITES - A COMPARISON BETWEEN B3-LYP AND MP2 METHODS, JOURNAL OF PHYSICAL CHEMISTRY B, 102(13), 1998, pp. 2373-2382
Authors:
SENCHENYA IN
CIVALLERI B
UGLIENGO P
GARRONE E
Citation: In. Senchenya et al., H3SIOH AND F3SIOH AS MODELS FOR ISOLATED HYDROXYL-GROUPS OF AMORPHOUSSILICA - AN AB-INITIO STUDY OF THE ADDUCTS WITH DIHYDROGEN AND CARBON-MONOXIDE, Surface science, 413, 1998, pp. 141-157
Authors:
BUSSOLIN G
CASASSA S
PISANI C
UGLIENGO P
Citation: G. Bussolin et al., AB-INITIO STUDY OF HCL AND HF INTERACTION WITH CRYSTALLINE ICE - I - PHYSICAL ADSORPTION, The Journal of chemical physics, 108(22), 1998, pp. 9516-9528
Authors:
CIVALLERI B
GARRONE E
UGLIENGO P
Citation: B. Civalleri et al., VIBRATIONAL-MODES OF ISOLATED HYDROXYLS OF SILICA COMPUTED AB-INITIO IN A CLUSTER APPROACH, Chemical physics letters, 294(1-3), 1998, pp. 103-108
Authors:
CIVALLERI B
ZICOVICHWILSON CM
UGLIENGO P
SAUNDERS VR
DOVESI R
Citation: B. Civalleri et al., A PERIODIC AB-INITIO STUDY OF THE STRUCTURE AND RELATIVE STABILITY OFSILICA POLYMORPHS, Chemical physics letters, 292(4-6), 1998, pp. 394-402
Authors:
BORDIGA S
CIVALLERI B
SPOTO G
PAZE C
LAMBERTI C
UGLIENGO P
ZECCHINA A
Citation: S. Bordiga et al., REPULSIVE AND ATTRACTIVE INTERACTIONS BETWEEN BRONSTED SITES AND HYDROCARBON SPECIES WITH PARTIAL CARBOCATIONIC CHARACTER IN RESTRICTED SPACES - COMPARISON OF IR RESULTS AND AB-INITIO CALCULATIONS, Journal of the Chemical Society. Faraday transactions, 93(21), 1997, pp. 3893-3898
Authors:
ONIDA B
ALLIAN M
BORELLO E
UGLIENGO P
GARRONE E
Citation: B. Onida et al., IR STUDY OF THE ADSORPTION OF UNSATURATED-HYDROCARBONS ON HIGHLY OUTGASSED SILICA - SPECTROSCOPIC AND THERMODYNAMIC RESULTS, Langmuir, 13(19), 1997, pp. 5107-5113
Authors:
UGLIENGO P
CIVALLERI B
GARRONE E
Citation: P. Ugliengo et al., DENSITY-FUNCTIONAL STUDY OF HYDROGEN-BONDED SYSTEMS - FROM GAS-PHASE ADDUCTS TO CATALYTICALLY RELEVANT SYSTEMS, Nuovo cimento della Societa italiana di fisica. D, Condensed matter,atomic, molecular and chemical physics, biophysics, 19(11), 1997, pp. 1765-1771
Authors:
MILANESIO M
BIANCHI R
UGLIENGO P
ROETTI C
VITERBO D
Citation: M. Milanesio et al., VITAMIN-C AT 120 K - EXPERIMENTAL AND THEORETICAL-STUDY OF THE CHARGE-DENSITY, Journal of molecular structure. Theochem, 419, 1997, pp. 139-154
Authors:
CIVALLERI B
GARRONE E
UGLIENGO P
Citation: B. Civalleri et al., DENSITY-FUNCTIONAL STUDY OF HYDROGEN-BONDED SYSTEMS - ENERGETIC AND VIBRATIONAL FEATURES OF SOME GAS-PHASE ADDUCTS OF HYDROGEN-FLUORIDE, Journal of molecular structure. Theochem, 419, 1997, pp. 227-238
Authors:
CASASSA S
UGLIENGO P
PISANI C
Citation: S. Casassa et al., PROTON-ORDERED MODELS OF ORDINARY ICE FOR QUANTUM-MECHANICAL STUDIES, The Journal of chemical physics, 106(19), 1997, pp. 8030-8040
Authors:
SENCHENYA IN
GARRONE E
UGLIENGO P
Citation: In. Senchenya et al., AN AB-INITIO STUDY OF TERMINAL SIOH AND BRIDGING SI(OH)AL GROUPS IN ZEOLITES AND THEIR INTERACTION WITH CARBON-MONOXIDE, Journal of molecular structure. Theochem, 368, 1996, pp. 93-110
Authors:
UGLIENGO P
FERRARI AM
ZECCHINA A
GARRONE E
Citation: P. Ugliengo et al., STRUCTURE AND VIBRATIONAL FEATURES OF COMPLEXES BETWEEN UNSATURATED-HYDROCARBONS AND ACIDIC SITES IN SILICA AND ZEOLITES - AN AB-INITIO STUDY, Journal of physical chemistry, 100(9), 1996, pp. 3632-3645
Authors:
FERRARI AM
UGLIENGO P
GARRONE E
Citation: Am. Ferrari et al., AB-INITIO STUDY OF THE ADDUCTS OF CARBON-MONOXIDE WITH ALKALINE CATIONS, The Journal of chemical physics, 105(10), 1996, pp. 4129-4139
Authors:
PISANI C
CASASSA S
UGLIENGO P
Citation: C. Pisani et al., PROTON-ORDERED ICE STRUCTURES AT ZERO PRESSURE - A QUANTUM-MECHANICALINVESTIGATION, Chemical physics letters, 253(3-4), 1996, pp. 201-208
Authors:
ALLIAN M
BERELLE E
UGLIENGO P
SPANO G
GARRONE E
Citation: M. Allian et al., INFRARED-SPECTROSCOPY STUDY OF THE ADSORPTION OF CARBONYL-COMPOUNDS ON SEVERELY OUTGASSED SILICA - SPECTROSCOPIC AND THERMODYNAMIC RESULTS, Langmuir, 11(12), 1995, pp. 4811-4817
Authors:
FERRARI AM
GARRONE E
SPOTO G
UGLIENGO P
ZECCHINA A
Citation: Am. Ferrari et al., REACTIONS OF SILICA STRAINED RINGS - AN EXPERIMENTAL AND AB-INITIO STUDY, Surface science, 323(1-2), 1995, pp. 151-162
Authors:
SAUER J
UGLIENGO P
GARRONE E
SAUNDERS VR
Citation: J. Sauer et al., THEORETICAL-STUDY OF VAN-DER-WAALS COMPLEXES AT SURFACE SITES IN COMPARISON WITH THE EXPERIMENT, Chemical reviews, 94(7), 1994, pp. 2095-2160
Authors:
BOLIS V
MORTERRA C
FUBINI B
UGLIENGO P
GARRONE E
Citation: V. Bolis et al., TEMKIN-TYPE MODEL FOR THE DESCRIPTION OF INDUCED HETEROGENEITY - CO ADSORPTION ON GROUP-4 TRANSITION-METAL DIOXIDES, Langmuir, 9(6), 1993, pp. 1521-1528
Authors:
FUBINI B
BOLIS V
CAVENAGO A
GARRONE E
UGLIENGO P
Citation: B. Fubini et al., STRUCTURAL AND INDUCED HETEROGENEITY AT THE SURFACE OF SOME SIO2 POLYMORPHS FROM THE ENTHALPY OF ADSORPTION OF VARIOUS MOLECULES, Langmuir, 9(10), 1993, pp. 2712-2720
Authors:
GARRONE E
UGLIENGO P
GHIOTTI G
BORELLO E
SAUNDERS VR
Citation: E. Garrone et al., AB-INITIO AND EXPERIMENTAL-STUDY OF THE INTERACTION OF NITROUS-OXIDE WITH THE ISOLATED HYDROXYL OF SILICA, Spectrochimica acta. Part A: Molecular spectroscopy, 49(9), 1993, pp. 1221-1234
Authors:
UGLIENGO P
VITERBO D
CHIARI G
Citation: P. Ugliengo et al., MOLDRAW - MOLECULAR GRAPHICS ON A PERSONAL-COMPUTER (VOL 207, PG 9, 1993), Zeitschrift fur Kristallographie, 208, 1993, pp. 383-383
Authors:
UGLIENGO P
VITERBO D
CHIARI G
Citation: P. Ugliengo et al., MOLDRAW - MOLECULAR GRAPHICS ON A PERSONAL-COMPUTER, Zeitschrift fur Kristallographie, 207, 1993, pp. 9-23
Authors:
FERRARI AM
GARRONE E
UGLIENGO P
Citation: Am. Ferrari et al., AB-INITIO STUDY OF THE GAS-PHASE EQUILIBRIUM BETWEEN (H2O)4 AND (H2O)8, Chemical physics letters, 212(6), 1993, pp. 644-648
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1-24
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