Loredana Valenzano
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Disclosing the complex structure of UiO-66 metal organic framework: a synergic combination of experiment and theory
L Valenzano, B Civalleri, S Chavan, S Bordiga, MH Nilsen, S Jakobsen, ...
Chemistry of Materials 23 (7), 1700-1718, 2011
B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals
B Civalleri, CM Zicovich-Wilson, L Valenzano, P Ugliengo
CrystEngComm 10 (4), 405-410, 2008
H 2 storage in isostructural UiO-67 and UiO-66 MOFs
S Chavan, JG Vitillo, D Gianolio, O Zavorotynska, B Civalleri, S Jakobsen, ...
Physical Chemistry Chemical Physics 14 (5), 1614-1626, 2012
Computational and Experimental Studies on the Adsorption of CO, N2, and CO2 on Mg-MOF-74
L Valenzano, B Civalleri, S Chavan, GT Palomino, CO AreŠn, S Bordiga
The Journal of Physical Chemistry C 114 (25), 11185-11191, 2010
Exceptionally low shear modulus in a prototypical imidazole-based metal-organic framework
JC Tan, B Civalleri, CC Lin, L Valenzano, R Galvelis, PF Chen, ...
Physical review letters 108 (9), 095502, 2012
Ab initio study of the vibrational spectrum and related properties of crystalline compounds; the case of CaCO3 calcite
L Valenzano, FJ Torres, K Doll, F Pascale, CM Zicovich-Wilson, R Dovesi
Zeitschrift fŁr Physikalische Chemie 220 (7), 893-912, 2006
Heats of Adsorption of CO and CO2 in Metal–Organic Frameworks: Quantum Mechanical Study of CPO-27-M (M = Mg, Ni, Zn)
L Valenzano, B Civalleri, K Sillar, J Sauer
The Journal of Physical Chemistry C 115 (44), 21777-21784, 2011
Ab initio vibrational spectra and dielectric properties of carbonates: magnesite, calcite and dolomite
L Valenzano, Y Noel, R Orlando, CM Zicovich-Wilson, M Ferrero, ...
Theoretical Chemistry Accounts 117 (5-6), 991-1000, 2007
Ab initio simulation of the IR spectra of pyrope, grossular, and andradite
CM Zicovich‐Wilson, FJ Torres, F Pascale, L Valenzano, R Orlando, ...
Journal of computational chemistry 29 (13), 2268-2278, 2008
Fundamental Aspects of H2S Adsorption on CPO-27-Ni
S Chavan, F Bonino, L Valenzano, B Civalleri, C Lamberti, N Acerbi, ...
The Journal of Physical Chemistry C 117 (30), 15615-15622, 2013
Structure–activity relationships of simple molecules adsorbed on CPO-27-Ni metal–organic framework: In situ experiments vs. theory
L Valenzano, JG Vitillo, S Chavan, B Civalleri, F Bonino, S Bordiga, ...
Catalysis today 182 (1), 67-79, 2012
Arsenic uptake by natural calcite: An XAS study
F Bardelli, M Benvenuti, P Costagliola, F Di Benedetto, P Lattanzi, ...
Geochimica et Cosmochimica Acta 75 (11), 3011-3023, 2011
BODIPY-based ratiometric fluorescent probes for the sensitive and selective sensing of cyanide ions
J Zhang, S Zhu, L Valenzano, FT Luo, H Liu
RSC advances 3 (1), 68-72, 2013
Unusual fluorescent responses of morpholine-functionalized fluorescent probes to pH via manipulation of BODIPY’s HOMO and LUMO energy orbitals for intracellular pH detection
J Zhang, M Yang, W Mazi, K Adhikari, M Fang, F Xie, L Valenzano, ...
ACS sensors 1 (2), 158-165, 2016
Insights into the effect of surface ligands on the optical properties of thiolated Au 25 nanoclusters
X Yuan, N Goswami, W Chen, Q Yao, J Xie
Chemical Communications 52 (30), 5234-5237, 2016
Accurate prediction of second-order elastic constants from first principles: PETN and TATB
L Valenzano, WJ Slough, W Perger
AIP Conference Proceedings 1426 (1), 1191-1194, 2012
A cyanine-based fluorescent cassette with aggregation-induced emission for sensitive detection of pH changes in live cells
M Fang, S Xia, J Bi, TP Wigstrom, L Valenzano, J Wang, W Mazi, ...
Chemical Communications 54 (9), 1133-1136, 2018
B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals (vol 10, pg 405, 2008)
B Civalleri, CM Zicovich-Wilson, L Valenzano, P Ugliengo
CrystEngComm 10 (11), 1693-1693, 2008
Framework and Channel Modifications in Mayenite (12CaO∑7Al2O3) Nanocages By Cationic Doping
J Huang, L Valenzano, G Sant
Chemistry of Materials 27 (13), 4731-4741, 2015
Ab-initio quantum mechanical study of akdalaite (5Al2O3∑ H2O): Structure and vibrational spectrum
R Demichelis, Y Noel, CM Zicovich-Wilson, C Roetti, L Valenzano, ...
Journal of Physics: Conference Series 117 (1), 012013, 2008
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