Furio Cora
Furio Cora
Professor of Computational Chemistry, UCL
Adresă de e-mail confirmată pe ucl.ac.uk
Citat de
Citat de
Modular and predictable assembly of porous organic molecular crystals
JTA Jones, T Hasell, X Wu, J Bacsa, KE Jelfs, M Schmidtmann, SY Chong, ...
Nature 474 (7351), 367-371, 2011
H2 and O2 Evolution from Water Half-Splitting Reactions by Graphitic Carbon Nitride Materials
AB Jorge, DJ Martin, MTS Dhanoa, AS Rahman, N Makwana, J Tang, ...
The Journal of Physical Chemistry C 117 (14), 7178-7185, 2013
Electronic and structural properties of two-dimensional carbon nitride graphenes
M Deifallah, PF McMillan, F Corà
The Journal of Physical Chemistry C 112 (14), 5447-5453, 2008
Carbon nitrides: synthesis and characterization of a new class of functional materials
TS Miller, AB Jorge, TM Suter, A Sella, F Corà, PF McMillan
Physical Chemistry Chemical Physics 19 (24), 15613-15638, 2017
The performance of hybrid density functionals in solid state chemistry
F Corà, M Alfredsson, G Mallia, DS Middlemiss, WC Mackrodt, R Dovesi, ...
Principles and Applications of Density Functional Theory in Inorganic …, 2004
Comparison of the bulk and surface properties of ceria and zirconia by ab initio investigations
S Gennard, F Cora, CRA Catlow
The Journal of Physical Chemistry B 103 (46), 10158-10170, 1999
Flexibility in a metal–organic framework material controlled by weak dispersion forces: the bistability of MIL‐53 (Al)
AM Walker, B Civalleri, B Slater, C Mellot‐Draznieks, F Corà, ...
Angewandte Chemie 122 (41), 7663-7665, 2010
The performance of hybrid density functionals in solid state chemistry: the case of BaTiO3
F Corà*
Molecular Physics 103 (18), 2483-2496, 2005
Transition Metal Oxide Chemistry:  Electronic Structure Study of WO3, ReO3, and NaWO3
F Cora, MG Stachiotti, CRA Catlow, CO Rodriguez
The Journal of Physical Chemistry B 101 (20), 3945-3952, 1997
Multi‐Scale Investigations of δ‐Ni0.25V2O5·nH2O Cathode Materials in Aqueous Zinc‐Ion Batteries
J Li, K McColl, X Lu, S Sathasivam, H Dong, L Kang, Z Li, S Zhao, ...
Advanced Energy Materials 10 (15), 2000058, 2020
Chemical and structural stability of zirconium‐based metal–organic frameworks with large three‐dimensional pores by linker engineering
SB Kalidindi, S Nayak, ME Briggs, S Jansat, AP Katsoulidis, GJ Miller, ...
Angewandte Chemie International Edition 54 (1), 221-226, 2015
An ab Initio Hartree−Fock Study of the Cubic and Tetragonal Phases of Bulk Tungsten Trioxide
F Cora, A Patel, NM Harrison, R Dovesi, CRA Catlow
Journal of the American Chemical Society 118 (48), 12174-12182, 1996
Anab initio Hartree–Fock study of α-MoO 3
F Corà, A Patel, NM Harrison, C Roetti, CRA Catlow
Journal of Materials Chemistry 7 (6), 959-967, 1997
Graphitic carbon nitride as a catalyst support in fuel cells and electrolyzers
N Mansor, TS Miller, I Dedigama, AB Jorge, J Jia, V Brázdová, C Mattevi, ...
Electrochimica Acta 222, 44-57, 2016
Graphitic carbon nitride C6N9H3· HCl: Characterisation by UV and near-IR FT Raman spectroscopy
PF McMillan, V Lees, E Quirico, G Montagnac, A Sella, B Reynard, ...
Journal of Solid State Chemistry 182 (10), 2670-2677, 2009
Sorption-induced breathing in the flexible metal organic framework CrMIL-53: force-field simulations and electronic structure analysis
DS Coombes, F Cora, C Mellot-Draznieks, RG Bell
The Journal of Physical Chemistry C 113 (2), 544-552, 2009
Hartree-Fock perturbed-cluster treatment of local defects in crystals: I. The EMBED program: general features
C Pisani, F Corà, R Nada, R Orlando
Computer physics communications 82 (2-3), 139-156, 1994
A polar corundum oxide displaying weak ferromagnetism at room temperature
MR Li, U Adem, SRC McMitchell, Z Xu, CI Thomas, JE Warren, DV Giap, ...
Journal of the American Chemical Society 134 (8), 3737-3747, 2012
First-principles investigation of sand related oxides
MG Stachiotti, F Corà, CRA Catlow, CO Rodriguez
Physical Review B 55 (12), 7508, 1997
Pilot-scale continuous synthesis of a vanadium-doped LiFePO4/C nanocomposite high-rate cathodes for lithium-ion batteries
ID Johnson, M Lübke, OY Wu, NM Makwana, GJ Smales, HU Islam, ...
Journal of Power Sources 302, 410-418, 2016
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