Sfoglia per Autore
Ab initio simulation of the IR spectra of pyrope, grossular and andradite
2008-01-01 C. M. Zicovich-Wilson; F. J. Torres; F. Pascale; L. Valenzano; R. Orlando; R. Dovesi
Ab initio quantum mechanical study of akdalaite (5 Al2O3 · H2O): structure and vibrational spectrum
2008-01-01 R. Demichelis; Y. Noel; C. M. Zicovich-Wilson; C. Roetti; L. Valenzano; R. Dovesi
Ab initio quantum-mechanical simulation of the Raman spectrum of grossular
2009-01-01 R. Dovesi; L. Valenzano; F. Pascale; C. M. Zicovich-Wilson; R. Orlando
Quantum-mechanical ab initio simulation of the Raman and IR spectra of Mn3Al2Si3O12 Spessartine
2009-01-01 L. Valenzano; A. Meyer; R. Demichelis; B. Civalleri; R. Dovesi
Quantum-mechanical ab initio simulation of the Raman and IR spectra of the Fe3Al2Si3O12 almandine
2009-01-01 A. M. Ferrari; L. Valenzano; A. Meyer; R. Orlando; R. Dovesi
Ab initio quantum-mechanical prediction of the IR and Raman spectra of Ca3Cr2Si3O12 uvarovite garnet
2010-01-01 L. Valenzano; F. Pascale; M. Ferrero; R. Dovesi
Computational and Experimental Studies on the Adsorption of CO, N2, and CO2 on Mg-MOF-74
2010-01-01 Valenzano L.; Civalleri B.; Chavan S.; Palomino G. T.; Arean C. O.; Bordiga S.
Combined study of structural properties of metal-organic frameworks changing organic linkers and metal centers
2011-01-01 Diego Gianolio; Jenny Grazia Vitillo; Bartolomeo Civalleri; Silvia Bordiga; Merete Hansen Nilsen; Soren Jakobsen; Karl Petter Lillerud; Loredana Valenzano; Carlo Lamberti
Disclosing the complex structure of UiO-66 Metal Organic Framework: a synergic combination of experiment and theory
2011-01-01 L. Valenzano; B. Civalleri; S. Chavan; S. Bordiga; M. H. Nilsen; S. Jakobsen; K.-P. Lillerud; C. Lamberti
Structure-activity relationships of simple molecules adsorbed on MOF materials: in situ experiments vs. theory
2011-01-01 C. Lamberti; L. Valenzano; B. Civalleri; J.G. Vitillo; F. Bonino; S. Bordiga; S. Chavan
Heats of adsorption of CO and CO2 in metal-organic frameworks: Quantum mechanical study of CPO-27-M (M = Mg, Ni, Zn)
2011-01-01 L. Valenzano; B. Civalleri; K. Sillar; J. Sauer
Structure-activity relationships of simple molecules adsorbed on CPO-27-Ni Metal-Organic Framework: in situ experiments vs. theory
2012-01-01 L. Valenzano; J. G. Vitillo; S. Chavan; B. Civalleri; F. Bonino; S. Bordiga; C. Lamberti
H2 storage in isostructural UiO-67 and UiO-66 MOFs
2012-01-01 S. Chavan; J. G. Vitillo; D. Gianolio; O. Zavorotynska; B. Civalleri; S. Jakobsen; M. H. Nilsen; L. Valenzano; C. Lamberti; K. P. Lillerud; S. Bordiga
Combined study of structural properties on metal-organic frameworks with same topology but different linkers or metal
2013-01-01 D. Gianolio; J. G. Vitillo; B. Civalleri; S. Bordiga; U. Olsbye; K. P. Lillerud; L. Valenzano; C. Lamberti
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Ab initio simulation of the IR spectra of pyrope, grossular and andradite | 2008 | C. M. Zicovich-Wilson; F. J. Torres; F. Pascale; L. Valenzano; R. Orlando; R. Dovesi | |
| Ab initio quantum mechanical study of akdalaite (5 Al2O3 · H2O): structure and vibrational spectrum | 2008 | R. Demichelis; Y. Noel; C. M. Zicovich-Wilson; C. Roetti; L. Valenzano; R. Dovesi | |
| Ab initio quantum-mechanical simulation of the Raman spectrum of grossular | 2009 | R. Dovesi; L. Valenzano; F. Pascale; C. M. Zicovich-Wilson; R. Orlando | |
| Quantum-mechanical ab initio simulation of the Raman and IR spectra of Mn3Al2Si3O12 Spessartine | 2009 | L. Valenzano; A. Meyer; R. Demichelis; B. Civalleri; R. Dovesi | |
| Quantum-mechanical ab initio simulation of the Raman and IR spectra of the Fe3Al2Si3O12 almandine | 2009 | A. M. Ferrari; L. Valenzano; A. Meyer; R. Orlando; R. Dovesi | |
| Ab initio quantum-mechanical prediction of the IR and Raman spectra of Ca3Cr2Si3O12 uvarovite garnet | 2010 | L. Valenzano; F. Pascale; M. Ferrero; R. Dovesi | |
| Computational and Experimental Studies on the Adsorption of CO, N2, and CO2 on Mg-MOF-74 | 2010 | Valenzano L.; Civalleri B.; Chavan S.; Palomino G. T.; Arean C. O.; Bordiga S. | |
| Combined study of structural properties of metal-organic frameworks changing organic linkers and metal centers | 2011 | Diego Gianolio; Jenny Grazia Vitillo; Bartolomeo Civalleri; Silvia Bordiga; Merete Hansen Nilsen; Soren Jakobsen; Karl Petter Lillerud; Loredana Valenzano; Carlo Lamberti | |
| Disclosing the complex structure of UiO-66 Metal Organic Framework: a synergic combination of experiment and theory | 2011 | L. Valenzano; B. Civalleri; S. Chavan; S. Bordiga; M. H. Nilsen; S. Jakobsen; K.-P. Lillerud; C. Lamberti | |
| Structure-activity relationships of simple molecules adsorbed on MOF materials: in situ experiments vs. theory | 2011 | C. Lamberti; L. Valenzano; B. Civalleri; J.G. Vitillo; F. Bonino; S. Bordiga; S. Chavan | |
| Heats of adsorption of CO and CO2 in metal-organic frameworks: Quantum mechanical study of CPO-27-M (M = Mg, Ni, Zn) | 2011 | L. Valenzano; B. Civalleri; K. Sillar; J. Sauer | |
| Structure-activity relationships of simple molecules adsorbed on CPO-27-Ni Metal-Organic Framework: in situ experiments vs. theory | 2012 | L. Valenzano; J. G. Vitillo; S. Chavan; B. Civalleri; F. Bonino; S. Bordiga; C. Lamberti | |
| H2 storage in isostructural UiO-67 and UiO-66 MOFs | 2012 | S. Chavan; J. G. Vitillo; D. Gianolio; O. Zavorotynska; B. Civalleri; S. Jakobsen; M. H. Nilsen; L. Valenzano; C. Lamberti; K. P. Lillerud; S. Bordiga | |
| Combined study of structural properties on metal-organic frameworks with same topology but different linkers or metal | 2013 | D. Gianolio; J. G. Vitillo; B. Civalleri; S. Bordiga; U. Olsbye; K. P. Lillerud; L. Valenzano; C. Lamberti |
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