Bartolomeo Civalleri - Dissemin

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Papers authored by Bartolomeo Civalleri

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1998 C. Pazé, B. Civalleri

ORCID

, S. Bordiga, A. Zecchina

HCl and HCl−Base Adducts in Silicalite Channels as Models of Acid−Base Interactions in Zeolites: An IR and Theoretical Study

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B. Civalleri

ORCID

, C. M. Zicovich Wilson, P. Ugliengo, V. R. Saunders, R. Dovesi

A periodic ab initio study of the structure and relative stability of silica polymorphs

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B. Civalleri

ORCID

, E. Garrone, P. Ugliengo

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

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I. N. Senchenya, B. Civalleri

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, P. Ugliengo, E. Garrone

H3SiOH and F3SiOH as models for isolated hydroxyl groups of amorphous silica. An ab initio study of the adducts with dihydrogen and carbon monoxide

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B. Civalleri

ORCID

, Edoardo Garrone, P. Ugliengo

Vibrational modes of isolated hydroxyls of silica computed ab-initio in a cluster approach

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1997 B. Civalleri

ORCID

, E. Garrone, P. Ugliengo

Density functional study of hydrogen-bonded systems: energetic and vibrational features of some gas-phase adducts of hydrogen fluoride

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S. Bordiga, B. Civalleri

ORCID

, G. Spoto, C. Paze, C. Lamberti, P. Ugliengo, A. Zecchina

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

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P. Ugliengo, B. Civalleri

ORCID

, E. Garrone

Density functional study of hydrogen-bonded systems: from gas-phase adducts to catalytically relevant systems

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