Furio Cora
机构: Professor of Computational Chemistry, UCL
每年引用次数
引用次数
引用: 7,674
H-指数: 45
I10-指数 : 122
出版物: 192
Ab-initio study of defects in crystalline solids; applications to Silicon
F Cora
UNSPECIFIED thesis, UNSPECIFIED.
1992
Development of Graphitic Carbon Nitride supported Electrocatalysts for Polymer Electrolyte Membrane Water Electrolysers
F Cora , I Dedigama , PR Shearing , PF McMillan
In: (Proceedings) Electrochem. (2014)
2014
Quantum-mechanical investigations of transition metal oxides
Cra Catlow , F Cora
In: Winkler, B, (ed.) How can ab initio calculations be an effective tool for the study of mineral properties. Christian-Albrechts-Universitat, Kiel (1997)
1997
Predictive modelling of catalysis: application to NO decomposition
F Cora
Masters thesis, UNSPECIFIED.
1995
Graphitic Carbon Nitrides as New Anodes for Lithium-ion Batteries
F Cora , PF McMillan , D Brett , A Belen Jorge
In: (Proceedings) European Materials Research Society (E-MRS). (2013)
2013
EMBED96 user manual and documentation
F Cora , U Birkenheuer , S Casassa , C Pisani
[Software]. Theoretical Chemistry Group, University of Torino (1996)
1996
A quantum-mechanical ab initio simulation of neutral and charged point defects in alpha-quartz
F Cora , C Pisani
Modelling and Simulation in Materials Science and Engineering 2 ( 5) 965 -974
10
1994
Bakoyannakis, DN, 35 Berenguer-Murcia, ÁA., 147 Berger, C., 1 Broadbelt, LJ, 105
R Brown , SE Brown , VI Bukhtiyarov , CRA Catlow
Microporous and Mesoporous Materials 59 231 -232
2003
Computer modelling as a technique in solid state chemistry-introductory lecture
CRA Catlow , L Ackermann , RG Bell , F Cora
Faraday Discuss 106 ( 106) 1 -40
10
1997
Computational study of the template effect of benzylpirrolidine and its fluorinated derivatives in the synthesis of AlPO-5
L Gomez-Hortiguela , F Cora , CRA Catlow , J Perez-Pariente
J AM CHEM SOC 106 12097
2004
Development of Graphitic-Carbon Nitride as a Catalyst Support for PEM Fuel Cells
N Mansor , A Belen Jorge , R Jervis , F Cora
Computer Modelling of Catalysts and Catalysis
CRA Catlow , CM Barker , RG Bell , ST Bromley
ChemInform 32 ( 21)
6
2001
Transition Metal Oxide Chemistry: Electronic Structure Study of WO3, ReO3, and NaWO3
F Cora , MG Stachiotti , CRA Catlow , CO Rodriguez
Journal of Physical Chemistry B 101 ( 20) 3945 -3952
152
1997
QM investigations on perovskite-structured transition metal oxides: bulk, surfaces and interfaces
F Cora , C RA Catlow
Faraday Discussions 114 421 -442
58
1999
Hydrogen abstraction from methane by Li doped MgO: A periodic quantum mechanical study
Roberto Orlando , F Cora , R Millini , G Perego
Journal of Chemical Physics 105 ( 19) 8937 -8943
29
1996
Isolated and embedded cluster modelling of the oxygen vacancy in α-quartz
VB Sulimov , C Pisani , F Cora , VO Sokolov
Solid State Communications 90 ( 8) 511 -514
29
1994
EMBED96 User’s manual
C Pisani , U Birkenheuer , F Cora , R Nada
Universita di Torino
34
1996
ON THE PROBLEM OF A SUITABLE DEFINITION OF THE CLUSTER IN EMBEDDED-CLUSTER TREATMENTS OF DEFECTS IN CRYSTALS
C Pisani , Roberto Orlando , F Cora
Journal of Chemical Physics 97 ( 6) 4195 -4204
22
1992
Vibrational infrared spectrum of NH3 adsorbed on MgO(100). I. Ab initio calculations
A Allouche , F Cora , C Girardet
Chemical Physics 201 ( 1) 59 -71
15
1995
, M. Alfredsson, G. Mallia, DS Middlemiss, WC Mackrodt, R. Dovesi and R. Orlando
F Cora
Principles and Applications of Density Functional Theory in Inorganic Chemistry II 171 -232
22
2004