Zobrazeno 1 - 10
of 17
pro vyhledávání: '"Claudia Busco"'
Publikováno v:
The Journal of Physical Chemistry B. 110:14849-14859
The joint use of microcalorimetric and computational approaches has been adopted to describe H2O interaction with cus Al(III) Lewis and Si(OH)+ Al- Brønsted acidic sites within H-BEA and H-MFI zeolites (both with approximately 6 Al/unit cell). Adsor
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::09b3ba7eb0d5d19dccf8e690179735f7
https://doi.org/10.1021/jp061078q
https://doi.org/10.1021/jp061078q
Publikováno v:
Molecular Physics. 103:2559-2571
Ab initio periodic calculations based on local Gaussian basis sets as coded in the CRYSTAL program have been performed to investigate the structure, the binding energy and the vibrational features of carbon monoxide adsorbed on H+, Li+, Na+ and K+-ex
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::153044f54efa356ccc1b9e5d120ddf13
https://doi.org/10.1080/00268970500180865
https://doi.org/10.1080/00268970500180865
Autor:
Mariona Sodupe, Vicenç Branchadell, Giuseppe Spoto, Piero Ugliengo, Claudia Busco, Xavier Solans-Monfort, Claudio M. Zicovich-Wilson, Evgueny Gribov
Publikováno v:
The Journal of Physical Chemistry B. 108:8278-8286
Cu + -exchanged Si/Al 11:1 chabazite has been studied ab initio using the periodic CRYSTAL03 computer code with Hartree-Fock and the hybrid B3LYP Hamiltonians to characterize the structures and energetics of the Cu + ion sitting preference and its in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::29ea69539ec89785b6ec137552b10ecb
https://doi.org/10.1021/jp0486651
https://doi.org/10.1021/jp0486651
Autor:
Vera, Bolis, Claudia, Busco, Gianmario, Martra, Luca, Bertinetti, Yuriy, Sakhno, Piero, Ugliengo, Fabio, Chiatti, Marta, Corno, Norberto, Roveri
Publikováno v:
Philosophical transactions. Series A, Mathematical, physical, and engineering sciences. 370(1963)
The affinity towards water of a selection of well-defined, nanostructured hydroxyapatite (HA) samples was investigated by H(2)O vapour adsorption microcalorimetry and infrared (IR) spectroscopy. A large hydrophilicity of all investigated materials wa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::d632ef1b5a09ce0938027b96aca18e85
https://pubmed.ncbi.nlm.nih.gov/22349244
https://pubmed.ncbi.nlm.nih.gov/22349244
The adsorption of CH3OH vapor at the surface of Ca-modified silica was studied by means of the combined use of an experimental and a theoretical approach. Parallel IR spectroscopic and microcalorimetric experiments were performed to describe quantita
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cd2e9c2172230d5db6dafff434892fb2
http://hdl.handle.net/2318/55926
http://hdl.handle.net/2318/55926
Masked Lewis Sites in Proton-Exchanged Zeolites: A Computational and Microcalorimetric Investigation
Lewis sites, in both proton-exchanged zeolites and silico-alumina systems, exhibit different coordination states, depending on the thermal and/or chemical treatments undergone by the material as well as on the experimental conditions. A new modulatin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c38c0ad60a29fa2f786ca783bd1e1da6
http://hdl.handle.net/2318/25012
http://hdl.handle.net/2318/25012
Autor:
Silvia Bordiga, Nicola Ballarini, Ilenia Rossetti, Sauro Passeri, Vera Bolis, Luca Maselli, L. Forni, M. Bregolato, Claudia Busco, Fabrizio Cavani, Piero Ugliengo
A systematic investigation was carried out to elucidate several aspects of the gas/solid methylation of phenol over high Si/Al ratio beta-structured zeolite in protonated form, characterised by various techniques, including XRD, SEM, BET, ICP, FTIR,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fb4c73c0af07f8de949646e946836f2a
http://hdl.handle.net/11585/47997
http://hdl.handle.net/11585/47997
Publikováno v:
The journal of physical chemistry. B. 110(39)
Evidence about the remarkable acidic nature of molecular water adsorbed at the surface of mesoporous MCM-41 silicoaluminas (MSA) with a ratio of Si/Al = 25 is reported, coming from both infrared spectroscopy and ab initio calculations. By using CO as
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5451f0302d7a408f1647acc16d38d1ea
https://pubmed.ncbi.nlm.nih.gov/17004751
https://pubmed.ncbi.nlm.nih.gov/17004751