| 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 | 1659 | 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 | 857 | 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 | 478 | 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 Areán, S Bordiga The Journal of Physical Chemistry C 114 (25), 11185-11191, 2010 | 375 | 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 | 263 | 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 Oldenbourg Wissenschaftsverlag 220 (7), 893-912, 2006 | 252 | 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 | 148 | 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, 991-1000, 2007 | 137 | 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 | 101 | 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 | 96 | 2013 |
| 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 | 94 | 2011 |
| 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 | 86 | 2016 |
| 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 | 75 | 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 | 69 | 2018 |
| 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 | 66 | 2013 |
| 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 | 53 | 2015 |
| 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 | 46 | 2012 |
| Functionalization of BODIPY dyes at 2, 6-positions through formyl groups S Zhu, J Bi, G Vegesna, J Zhang, FT Luo, L Valenzano, H Liu RSC advances 3 (14), 4793-4800, 2013 | 41 | 2013 |
| Electronic origin of doping-induced enhancements of reactivity: case study of tricalcium silicate J Huang, B Wang, Y Yu, L Valenzano, M Bauchy, G Sant The Journal of Physical Chemistry C 119 (46), 25991-25999, 2015 | 34 | 2015 |
| 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 | 33 | 2008 |
Jin-Chong Tan (陈仁忠)Professor of Nanoscale Engineering, University of OxfordVerified email at eng.ox.ac.uk
