SPECTRAL POINT SCHEMES FOR EVALUATING THE EXPANSION COEFFICIENTS OF STATE DENSITIES INTO ORTHOGONAL FUNCTIONS = SPEKTRALPUNKT-SCHEMA ZUR BERECHNUNG DER ENTWICKLUNGSKOEFFIZIENTEN DER ZUSTANDSDICHTEN IN ORTHOGONALEN FUNKTIONEN = SCHEMA DE POINT SPECTRAL POUR CALCULER LES COEFFICIENTS DE DEVELOPPEMENT DES DENSITES D'ETATS DANS DES FONCTIONS ORTHOGONALESPISANI C; UGLIENGO P.1982; PHYS. STATUS SOLIDI (B), BASIC RES.; ISSN 0370-1972; DDR; DA. 1982-07; VOL. 112; NO 1; PP. 251-259; BIBL. 15 REF.Article

Twofold adsorption of a molecule at the same site : the case of the isolated hydroxyl at the silica surfaceGARRONE, E; UGLIENGO, P.Langmuir. 1991, Vol 7, Num 7, pp 1409-1412, issn 0743-7463Article

Trigonometric series expansion of projected densities of states = Développement en série trigonométrique des densités d'états projetées = Trigonometrische Reihenentwicklung der projizierten ZustandsdichtenUGLIENGO, P; PISANI, C.Physica status solidi. B. Basic research. 1983, Vol 115, Num 2, pp K79-K81, issn 0370-1972Article

Are dispersive forces relevant for CO adsorption on the MgO(001) surface?UGLIENGO, P; DAMIN, A.Chemical physics letters. 2002, Vol 366, Num 5-6, pp 683-690, issn 0009-2614, 8 p.Article

Ideal adsorption on a lattice with exclusion of nearest neighborsGARRONE, E; UGLIENGO, P.Langmuir. 1992, Vol 8, Num 1, pp 222-228, issn 0743-7463Article

Stepwise adsorption at the same site: a thermodynamic treatmentGARRONE, E; UGLIENGO, P.Journal of the Chemical Society. Faraday Transactions I. 1989, Vol 85, Num 3, pp 585-599, issn 0300-9599Article

Structural and conformational studies on sesquiterpenoids. II: X-ray, molecular mechanics and NMR analysis of slovanolidesUGLIENGO, P; VITERBO, D; APPENDINO, G et al.Journal of molecular structure. 1992, Vol 265, Num 3-4, pp 311-328, issn 0022-2860Article

Silanol as a model for the free hydroxyl of amorphous silica: quantum mechanical calculation of the interaction with COUGLIENGO, P; SAUNDERS, V. R; GARRONE, E et al.Journal of physical chemistry (1952). 1989, Vol 93, Num 13, pp 5210-5215, issn 0022-3654Article

Structural and molecular-orbital study of the furoxan ring. Structures of 3-phenylfuroxan and 4-phenylfuroxan and comparison with related structuresCALLERI, M; RANGHINO, G; UGLIENGO, P et al.Acta crystallographica. Section B, Structural science. 1986, Vol 42, Num 1, pp 84-90, issn 0108-7681Article

Ab initio study of the gas-phase equilibrium between (H₂O)₄ and (H₂O)₈FERRARI, A. M; GARRONE, E; UGLIENGO, P et al.Chemical physics letters. 1993, Vol 212, Num 6, pp 644-648, issn 0009-2614Article

Ammonia and water as probes for the surface reactivity of covalent solids : crystobalite and silicon carbideFUBINI, B; BOLIS, V; CAVENAGO, A et al.Journal of the Chemical Society. Faraday transactions. 1992, Vol 88, Num 3, pp 277-289Article

Ab initio conformational study of the phenylisoserine side chain of paclitaxelMILANESIO, M; UGLIENGO, P; VITERBO, D et al.Journal of medicinal chemistry (Print). 1999, Vol 42, Num 2, pp 291-299, issn 0022-2623Article

Superoxide ions formed on MgO through the agency of presorbed molecules. I: Spectroscopic electron spin resonance featuresGIAMELLO, E; UGLIENGO, P; GARRONE, E et al.Journal of the Chemical Society. Faraday Transactions I. 1989, Vol 85, Num 6, pp 1373-1382, issn 0300-9599Article

Methylation of hallerin: conformational aspects from X-ray analysis and MO calculationsAPPENDINO, G; CHIARI, G; UGLIENGO, P et al.Perkin transactions. 2. 1987, Num 2, pp 215-218, issn 0300-9580Article

Modeling physisorption with the ONIOM method: the case of NH₃at the isolated hydroxyl group of the silica surfaceROGGERO, I; CIVALLERI, B; UGLIENGO, P et al.Chemical physics letters. 2001, Vol 341, Num 5-6, pp 625-632, issn 0009-2614Article

Silanol as a model for the free hydroxyl of amorphous silica : AB initio calculations of the interaction with formaldehydeUGLIENGO, P; SAUNDERS, V. R; GARRONE, E et al.Chemical physics letters. 1990, Vol 169, Num 6, pp 501-508, issn 0009-2614, 8 p.Article

Structural and molecular orbital study of the Furazan N-oxide system. Structures of 3-amino-4-methylfurazan N-oxide and 4-amino-3-methylfurazan N-oxide, and molecular orbital calculationsUGLIENGO, P; VITERBO, D; CALLERI, M et al.Perkin transactions. 2. 1988, Num 5, pp 661-667, issn 0300-9580Article

Van der Waals interactions on acidic centres localized in zeolites nanocavities: a calorimetric and computer modeling studyBOLIS, V; BROYER, M; BARBAGLIA, A et al.Journal of molecular catalysis. A, Chemical. 2003, Vol 204-05, pp 561-569, issn 1381-1169, 9 p.Article

Theoretical equilibrium and growth morphology of anhydrite (CaSO₄) crystalsAQUILANO, D; RUBBO, M; CATTI, M et al.Journal of crystal growth. 1992, Vol 125, Num 3-4, pp 519-532, issn 0022-0248Article

H3SiOH and F3SiOH as models for isolated hydroxyl groups of amorphous silica : an ab initio study of the adducts with dihydrogen and carbon monoxideSENCHENYA, I. N; CIVALLERI, B; UGLIENGO, P et al.Surface science. 1998, Vol 412-13, pp 141-157, issn 0039-6028Article

Characterisation of Lewis and Brønsted acidic sites in H-MFI and H-BEA zeolites : a thermodynamic and ab initio studyBUSCO, C; BARBAGLIA, A; BROYER, M et al.Thermochimica acta. 2004, Vol 418, Num 1-2, pp 3-9, issn 0040-6031, 7 p.Conference Paper

Cation selectivity in alkali-exchanged chabazite: An ab initio periodic studyCIVALLERI, B; FERRARI, A. M; LLUNELL, M et al.Chemistry of materials. 2003, Vol 15, Num 21, pp 3996-4004, issn 0897-4756, 9 p.Article

The Si-H-B complex in p⁺-type porous silicon: a theoretical approachBORINI, S; UGLIENGO, P.Physica status solidi. A. Applied research. 2003, Vol 197, Num 2, pp 436-440, issn 0031-8965, 5 p.Conference Paper

IR study of the adsorption of unsaturated hydrocarbons on highly outgassed silica : Spectroscopic and thermodynamic resultsONIDA, B; ALLIAN, M; BORELLO, E et al.Langmuir. 1997, Vol 13, Num 19, pp 5107-5113, issn 0743-7463Article

Spectroscopic and ab initio study of the interaction of molecular hydrogen with the isolated silica hydroxyls and related systemsGARRONE, E; KAZANSKY, V. B; KUSTOV, L. M et al.Journal of physical chemistry (1952). 1992, Vol 96, Num 3, pp 1040-1045, issn 0022-3654Article