Josep M. Poblet
Josep M. Poblet
Professor of Physical Chemistry (URV, Tarragona, Spain)
Verified email at urv.cat
Title
Cited by
Cited by
Year
Endohedral metallofullerenes: a unique host–guest association
A Rodríguez-Fortea, AL Balch, JM Poblet
Chemical Society Reviews 40 (7), 3551-3563, 2011
2992011
Structure, properties and reactivity of polyoxometalates: a theoretical perspective
X López, JJ Carbó, C Bo, JM Poblet
Chemical Society Reviews 41 (22), 7537-7571, 2012
2832012
Ab initio and DFT modelling of complex materials: towards the understanding of electronic and magnetic properties of polyoxometalates
JM Poblet, X López, C Bo
Chemical Society Reviews 32 (5), 297-308, 2003
2792003
Electronic properties of polyoxometalates: electron and proton affinity of mixed-Addenda Keggin and Wells− Dawson anions
X López, C Bo, JM Poblet
Journal of the American Chemical Society 124 (42), 12574-12582, 2002
2502002
Electronic and magnetic properties of α-keggin anions: A DFT Study of [XM12O40] n-,(M= W, Mo; X= AlIII, SiIV, PV, FeIII, CoII, CoIII) and [SiM11VO40] m-(M= Mo and W)
JM Maestre, X Lopez, C Bo, JM Poblet, N Casan-Pastor
Journal of the American Chemical Society 123 (16), 3749-3758, 2001
2212001
Bonding within the Endohedral Fullerenes Sc3N@ C78 and Sc3N@ C80 as Determined by Density Functional Calculations and Reexamination of the Crystal Structure of {Sc3N@ C78}⊙ Co …
JM Campanera, C Bo, MM Olmstead, AL Balch, JM Poblet
The Journal of Physical Chemistry A 106 (51), 12356-12364, 2002
2192002
Structure, Reactivity, and Growth Pathways of Metallocarbohedrenes M8C12 and Transition Metal/Carbon Clusters and Nanocrystals:  A Challenge to …
MM Rohmer, M Bénard, JM Poblet
Chemical reviews 100 (2), 495-542, 2000
2192000
Design and fabrication of memory devices based on nanoscale polyoxometalate clusters
C Busche, L Vilŕ-Nadal, J Yan, HN Miras, DL Long, VP Georgiev, ...
Nature 515 (7528), 545-549, 2014
2122014
Electronic properties of polyoxometalates: A DFT study of α/β-[XM12O40] n-relative stability (M= W, Mo and X a main group element)
X Lopez, JM Maestre, C Bo, JM Poblet
Journal of the American Chemical Society 123 (39), 9571-9576, 2001
2002001
Managing the Computational Chemistry Big Data Problem: The ioChem-BD Platform
M Álvarez-Moreno, C de Graaf, N Lopez, F Maseras, JM Poblet, C Bo
Journal of chemical information and modeling 55 (1), 95-103, 2015
1912015
General rule for the stabilization of fullerene cages encapsulating trimetallic nitride templates
JM Campanera, C Bo, JM Poblet
Angewandte Chemie International Edition 44 (44), 7230-7233, 2005
1912005
The maximum pentagon separation rule provides a guideline for the structures of endohedral metallofullerenes
A Rodríguez-Fortea, N Alegret, AL Balch, JM Poblet
Nature Chemistry 2 (11), 955, 2010
1452010
Mechanistic Insights into Alkene Epoxidation with H2O2 by Ti- and other TM-Containing Polyoxometalates: Role of the Metal Nature and Coordination Environment
NS Antonova, JJ Carbó, U Kortz, OA Kholdeeva, JM Poblet
Journal of the American Chemical Society 132 (21), 7488-7497, 2010
1312010
Polyoxometalates with internal cavities: Redox activity, basicity, and cation encapsulation in [X n+ P5W30O110](15-n)-Preyssler complexes, with X= Na+, Ca2+, Y3+, La3+, Ce3+ …
JA Fernández, X López, C Bo, C de Graaf, EJ Baerends, JM Poblet
Journal of the American Chemical Society 129 (40), 12244-12253, 2007
1302007
The Smallest Stable Fullerene, M@C28 (M = Ti, Zr, U): Stabilization and Growth from Carbon Vapor
PW Dunk, NK Kaiser, M Mulet-Gas, A Rodríguez-Fortea, JM Poblet, ...
Journal of the American Chemical Society 134 (22), 9380-9389, 2012
1262012
Relative basicities of the oxygen sites in [V10O28] 6-. An analysis of the ab initio determined distributions of the electrostatic potential and of the Laplacian of charge density
JY Kempf, MM Rohmer, JM Poblet, C Bo, M Benard
Journal of the American Chemical Society 114 (4), 1136-1146, 1992
1251992
Polyoxometalate electrocatalysts based on earth-abundant metals for efficient water oxidation in acidic media
M Blasco-Ahicart, J Soriano-López, JJ Carbó, JM Poblet, ...
Nature Chemistry 10 (1), 24-30, 2018
1242018
“Open Rather than Closed” Malonate Methano-Fullerene Derivatives. The Formation of Methanofulleroid Adducts of Y3N@C80
O Lukoyanova, CM Cardona, J Rivera, LZ Lugo-Morales, CJ Chancellor, ...
Journal of the American Chemical Society 129 (34), 10423-10430, 2007
1172007
The Shape of the Sc2 (μ2-S) Unit Trapped in C82: Crystallographic, Computational, and Electrochemical Studies of the Isomers, Sc2 (μ2-S)@ C s (6)-C82 and Sc2 (μ2-S)@ C 3 v (8)-C82
BQ Mercado, N Chen, A Rodríguez-Fortea, MA Mackey, S Stevenson, ...
Journal of the American Chemical Society 133 (17), 6752-6760, 2011
1112011
Sc2S@Cs(10528)-C72: A Dimetallic Sulfide Endohedral Fullerene with a Non Isolated Pentagon Rule Cage
N Chen, CM Beavers, M Mulet-Gas, A Rodríguez-Fortea, EJ Munoz, YY Li, ...
Journal of the American Chemical Society 134 (18), 7851-7860, 2012
1082012
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