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Year Citation  Score
2016 Jiménez-Lozano P, Skobelev IY, Kholdeeva OA, Poblet JM, Carbó JJ. Alkene Epoxidation Catalyzed by Ti-Containing Polyoxometalates: Unprecedented β-Oxygen Transfer Mechanism. Inorganic Chemistry. PMID 27232155 DOI: 10.1021/acs.inorgchem.6b00621  0.64
2016 Tang Q, Abella L, Hao Y, Li X, Wan Y, Rodríguez-Fortea A, Poblet JM, Feng L, Chen N. Sc2O@C3v(8)-C82: A Missing Isomer of Sc2O@C82. Inorganic Chemistry. PMID 26840749 DOI: 10.1021/acs.inorgchem.5b02901  1
2016 Lang Z, Gabas IM, López X, Clotet A, De La Fuente JM, Mitchell SG, Poblet JM. On the formation of gold nanoparticles from [AuIIICl4]- and a non-classical reduced polyoxomolybdate as an electron source: A quantum mechanical modelling and experimental study New Journal of Chemistry. 40: 1029-1038. DOI: 10.1039/c5nj02773j  1
2015 Nishiki K, Umehara N, Kadota Y, López X, Poblet JM, Mezui CA, Teillout AL, Mbomekalle IM, de Oliveira P, Miyamoto M, Sano T, Sadakane M. Preparation of α1- and α2-isomers of mono-Ru-substituted Dawson-type phosphotungstates with an aqua ligand and comparison of their redox potentials, catalytic activities, and thermal stabilities with Keggin-type derivatives. Dalton Transactions (Cambridge, England : 2003). PMID 26672976 DOI: 10.1039/c5dt04219d  1
2015 Suaud N, López X, Ben Amor N, Bandeira NA, de Graaf C, Poblet JM. Accuracy of Embedded Fragment Calculation for Evaluating Electron Interactions in Mixed Valence Magnetic Systems: Study of 2e-Reduced Lindqvist Polyoxometalates. Journal of Chemical Theory and Computation. 11: 550-9. PMID 26580912 DOI: 10.1021/ct5010005  0.68
2015 Cerón MR, Izquierdo M, Alegret N, Valdez JA, Rodríguez-Fortea A, Olmstead MM, Balch AL, Poblet JM, Echegoyen L. Reactivity differences of Sc3N@C2n (2n = 68 and 80). Synthesis of the first methanofullerene derivatives of Sc3N@D5h-C80. Chemical Communications (Cambridge, England). PMID 26437751 DOI: 10.1039/c5cc07416a  1
2015 Tang Q, Abella L, Hao Y, Li X, Wan Y, Rodríguez-Fortea A, Poblet JM, Feng L, Chen N. Sc2O@C2v(5)-C80: Dimetallic Oxide Cluster Inside a C80 Fullerene Cage. Inorganic Chemistry. PMID 26421874 DOI: 10.1021/acs.inorgchem.5b01613  1
2015 Skobelev IY, Zalomaeva OV, Kholdeeva OA, Poblet JM, Carbó JJ. Mechanism of Thioether Oxidation over Di- and Tetrameric Ti Centres: Kinetic and DFT Studies Based on Model Ti-Containing Polyoxometalates. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 14496-506. PMID 26384744 DOI: 10.1002/chem.201501157  1
2015 Alegret N, Abella L, Azmani K, Rodríguez-Fortea A, Poblet JM. Different Factors Govern Chlorination and Encapsulation in Fullerenes: The Case of C66. Inorganic Chemistry. 54: 7562-70. PMID 26176335 DOI: 10.1021/acs.inorgchem.5b01187  1
2015 Yang T, Hao Y, Abella L, Tang Q, Li X, Wan Y, Rodríguez-Fortea A, Poblet JM, Feng L, Chen N. Sc2 O@Td (19151)-C76 : Hindered Cluster Motion inside a Tetrahedral Carbon Cage Probed by Crystallographic and Computational Studies. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26088830 DOI: 10.1002/chem.201500904  1
2015 Yang T, Nagase S, Akasaka T, Poblet JM, Houk KN, Ehara M, Zhao X. (2 + 2) Cycloaddition of Benzyne to Endohedral Metallofullerenes M3N@C80 (M = Sc, Y): A Rotating-Intermediate Mechanism. Journal of the American Chemical Society. 137: 6820-8. PMID 25971783 DOI: 10.1021/jacs.5b01444  1
2015 Pascual-Borràs M, López X, Poblet JM. Accurate calculation of (31)P NMR chemical shifts in polyoxometalates. Physical Chemistry Chemical Physics : Pccp. 17: 8723-31. PMID 25738630 DOI: 10.1039/c4cp05016a  1
2015 Álvarez-Moreno M, de Graaf C, López N, Maseras F, Poblet JM, Bo C. Managing the computational chemistry big data problem: the ioChem-BD platform. Journal of Chemical Information and Modeling. 55: 95-103. PMID 25469626 DOI: 10.1021/ci500593j  1
2015 Monakhov KY, Linnenberg O, Koz?owski P, van Leusen J, Besson C, Secker T, Ellern A, López X, Poblet JM, Kögerler P. Supramolecular recognition influences magnetism in [X@HV(IV) 8 V(V) 14 O54 ](6-) self-assemblies with symmetry-breaking guest anions. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 2387-97. PMID 25403795 DOI: 10.1002/chem.201403858  1
2015 Mulet-Gas M, Abella L, Dunk PW, Rodríguez-Fortea A, Kroto HW, Poblet JM. Small endohedral metallofullerenes: Exploration of the structure and growth mechanism in the Ti@C2n (2n = 26-50) family Chemical Science. 6: 675-686. DOI: 10.1039/c4sc02268h  1
2015 Suaud N, López X, Ben Amor N, Bandeira NAG, De Graaf C, Poblet JM. Accuracy of embedded fragment calculation for evaluating electron interactions in mixed valence magnetic systems: Study of 2e-reduced lindqvist polyoxometalates Journal of Chemical Theory and Computation. 11: 550-559. DOI: 10.1021/ct5010005  1
2015 Valero L, Soleimany B, Bulnes M, Poblet J. Evolution of the Nourooz anticline (NW Persian Gulf) deciphered using growth strata: Structural inferences to constrain hydrocarbon exploration in Persian offshore anticlines Marine and Petroleum Geology. 66: 873-889. DOI: 10.1016/j.marpetgeo.2015.07.029  1
2014 Rodríguez-Fortea A, Poblet JM. Maximum aromaticity or maximum pentagon separation; which is the origin behind the stability of endohedral metallofullerenes? Faraday Discussions. 173: 201-13. PMID 25467947 DOI: 10.1039/c4fd00096j  1
2014 Yang P, Xiang Y, Lin Z, Bassil BS, Cao J, Fan L, Fan Y, Li MX, Jiménez-Lozano P, Carbó JJ, Poblet JM, Kortz U. Alkaline earth guests in polyoxopalladate chemistry: from nanocube to nanostar via an open-shell structure. Angewandte Chemie (International Ed. in English). 53: 11974-8. PMID 25220307 DOI: 10.1002/anie.201407090  1
2014 Vonci M, Akhlaghi Bagherjeri F, Hall PD, Gable RW, Zavras A, O'Hair RA, Liu Y, Zhang J, Field MR, Taylor MB, Du Plessis J, Bryant G, Riley M, Sorace L, Aparicio PA, ... ... Poblet JM, et al. Modular molecules: site-selective metal substitution, photoreduction, and chirality in polyoxometalate hybrids. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 14102-11. PMID 25204640 DOI: 10.1002/chem.201403222  1
2014 Rubinstein A, Jiménez-Lozanao P, Carbó JJ, Poblet JM, Neumann R. Aerobic carbon-carbon bond cleavage of alkenes to aldehydes catalyzed by first-row transition-metal-substituted polyoxometalates in the presence of nitrogen dioxide. Journal of the American Chemical Society. 136: 10941-8. PMID 25020036 DOI: 10.1021/ja502846h  1
2014 Parent L, Aparicio PA, de Oliveira P, Teillout AL, Poblet JM, López X, Mbomekallé IM. Effect of electron (de)localization and pairing in the electrochemistry of polyoxometalates: study of Wells-Dawson molybdotungstophosphate derivatives. Inorganic Chemistry. 53: 5941-9. PMID 24892769 DOI: 10.1021/ic500087t  1
2014 Monakhov KY, López X, Speldrich M, van Leusen J, Kögerler P, Braunstein P, Poblet JM. Magnetochemical complexity of hexa- and heptanuclear wheel complexes of late-3d ions supported by N,O-donor pyridyl-methanolate ligands. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 3769-81. PMID 24615946 DOI: 10.1002/chem.201304177  1
2014 Barats-Damatov D, Shimon LJ, Weiner L, Schreiber RE, Jiménez-Lozano P, Poblet JM, de Graaf C, Neumann R. Dicobalt-μ-oxo polyoxometalate compound, [(α(2)-P2W17O61Co)2O](14-): a potent species for water oxidation, C-H bond activation, and oxygen transfer. Inorganic Chemistry. 53: 1779-87. PMID 24437566 DOI: 10.1021/ic402962c  1
2014 Jiménez-Lozano P, Carbó JJ, Chaumont A, Poblet JM, Rodríguez-Fortea A, Wipff G. Nature of Zr-monosubstituted monomeric and dimeric polyoxometalates in water solution at different pH conditions: static density functional theory calculations and dynamic simulations. Inorganic Chemistry. 53: 778-86. PMID 24364825 DOI: 10.1021/ic401999r  1
2014 Pascual-Borràs M, López X, Rodríguez-Fortea A, Errington RJ, Poblet JM. 17O NMR chemical shifts in oxometalates: From the simplest monometallic species to mixed-metal polyoxometalates Chemical Science. 5: 2031-2042. DOI: 10.1039/c4sc00083h  1
2014 Uzkeda H, Poblet J, Bulnes M. Shear angle and amount of extension calculations for normal faults emanating from a detachment: Implications on mechanisms to generate rollovers Journal of Structural Geology. 67: 20-36. DOI: 10.1016/j.jsg.2014.07.006  1
2014 Goberna-Ferrón S, Peña B, Soriano-López J, Carbó JJ, Zhao H, Poblet JM, Dunbar KR, Galán-Mascarós JR. A fast metal-metal bonded water oxidation catalyst Journal of Catalysis. 315: 25-32. DOI: 10.1016/j.jcat.2014.04.010  1
2013 Izquierdo M, Cerón MR, Alegret N, Metta-Magaña AJ, Rodríguez-Fortea A, Poblet JM, Echegoyen L. Unexpected isomerism in cis-2 bis(pyrrolidino)[60]fullerene diastereomers. Angewandte Chemie (International Ed. in English). 52: 12928-31. PMID 24132934 DOI: 10.1002/anie.201306957  1
2013 Merca A, Garai S, Bögge H, Haupt ET, Ghosh A, López X, Poblet JM, Averseng F, Che M, Müller A. An unstable paramagnetic isopolyoxomolybdate intermediate non-homogeneously reduced at different sites and trapped in a host based on chemical adaptability. Angewandte Chemie (International Ed. in English). 52: 11765-9. PMID 24108525 DOI: 10.1002/anie.201305402  1
2013 Alegret N, Salvadó P, Rodríguez-Fortea A, Poblet JM. Bingel-Hirsch addition on non-isolated-pentagon-rule Gd3N@C2n (2n = 82 and 84) metallofullerenes: products under kinetic control. The Journal of Organic Chemistry. 78: 9986-90. PMID 24004274 DOI: 10.1021/jo4014832  1
2013 Vilà-Nadal L, Peuntinger K, Busche C, Yan J, Lüders D, Long DL, Poblet JM, Guldi DM, Cronin L. Polyoxometalate {W18O56XO6} clusters with embedded redox-active main-group templates as localized inner-cluster radicals. Angewandte Chemie (International Ed. in English). 52: 9695-9. PMID 23873517 DOI: 10.1002/anie.201303126  1
2013 Caballo J, Carbó JJ, Mena M, Pérez-Redondo A, Poblet JM, Yélamos C. Redox-active behavior of the [{Ti(η(5)-C5Me5)(μ-NH)}3(μ3-N)] metalloligand. Inorganic Chemistry. 52: 6103-9. PMID 23634846 DOI: 10.1021/ic400463a  1
2013 Soriano-López J, Goberna-Ferrón S, Vigara L, Carbó JJ, Poblet JM, Galán-Mascarós JR. Cobalt polyoxometalates as heterogeneous water oxidation catalysts. Inorganic Chemistry. 52: 4753-5. PMID 23611185 DOI: 10.1021/ic4001945  1
2013 Alegret N, Rodríguez-Fortea A, Poblet JM. Bingel-Hirsch addition on endohedral metallofullerenes: kinetic versus thermodynamic control. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 5061-9. PMID 23423986 DOI: 10.1002/chem.201203522  1
2013 Mulet-Gas M, Rodríguez-Fortea A, Echegoyen L, Poblet JM. Relevance of thermal effects in the formation of endohedral metallofullerenes: the case of Gd3N@C(s)(39663)-C82 and other related systems. Inorganic Chemistry. 52: 1954-9. PMID 23383740 DOI: 10.1021/ic302239e  1
2013 Dunk PW, Rodríguez-Fortea A, Kaiser NK, Shinohara H, Poblet JM, Kroto HW. Formation of heterofullerenes by direct exposure of C60 to boron vapor. Angewandte Chemie (International Ed. in English). 52: 315-9. PMID 23225487 DOI: 10.1002/anie.201208244  1
2013 Li FF, Chen N, Mulet-Gas M, Triana V, Murillo J, Rodríguez-Fortea A, Poblet JM, Echegoyen L. Ti2S@D3h(24109)-C78: A sulfide cluster metallofullerene containing only transition metals inside the cage Chemical Science. 4: 3404-3410. DOI: 10.1039/c3sc51124c  1
2013 Chen N, Mulet-Gas M, Li YY, Stene RE, Atherton CW, Rodríguez-Fortea A, Poblet JM, Echegoyen L. Sc2S@C2(7892)-C70: A metallic sulfide cluster inside a non-IPR C70 cage Chemical Science. 4: 180-186. DOI: 10.1039/c2sc21101g  1
2013 Aparicio-Anglès X, Alegret N, Clotet A, Rodríguez-Fortea A, Poblet JM. Endohedral metallofullerenes containing lanthanides: A robust yet simple computational approach Journal of Physical Chemistry C. 117: 12916-12921. DOI: 10.1021/jp4039623  1
2013 Uzkeda H, Bulnes M, Poblet J, García-Ramos JC, Piñuela L. Buttressing and reverse reactivation of a normal fault in the Jurassic rocks of the Asturian Basin, NW Iberian Peninsula Tectonophysics. 599: 117-134. DOI: 10.1016/j.tecto.2013.04.012  1
2013 Martín S, Uzkeda H, Poblet J, Bulnes M, Rubio R. Construction of accurate geological cross-sections along trenches, cliffs and mountain slopes using photogrammetry Computers and Geosciences. 51: 90-100. DOI: 10.1016/j.cageo.2012.09.014  1
2013 Rodríguez-Fortea A, Alegret N, Poblet JM. Endohedral Fullerenes Comprehensive Inorganic Chemistry Ii (Second Edition): From Elements to Applications. 9: 907-924. DOI: 10.1016/B978-0-08-097774-4.00938-4  1
2013 Carbó JJ, Bo C, Poblet JM. Structure and Reactivity of Polyoxometalates Comprehensive Inorganic Chemistry Ii (Second Edition): From Elements to Applications. 9: 887-906. DOI: 10.1016/B978-0-08-097774-4.00937-2  1
2013 Muñoz JA, Beamud E, Fernández O, Arbués P, Dinarès-Turell J, Poblet J. The Ainsa Fold and thrust oblique zone of the central Pyrenees: Kinematics of a curved contractional system from paleomagnetic and structural data Tectonics. 32: 1142-1175. DOI: 10.1002/tect.20070  1
2013 Aparicio PA, Poblet JM, Lõpez X. Tungsten redox waves in [XMW11O40]n- (X = P, Si, Al and M = W, Mo, V, Nb, Ti) keggin compounds - Effect of localised/delocalised charges European Journal of Inorganic Chemistry. 1910-1916. DOI: 10.1002/ejic.201201384  1
2012 Barsukova-Stuckart M, Izarova NV, Barrett RA, Wang Z, van Tol J, Kroto HW, Dalal NS, Jiménez-Lozano P, Carbó JJ, Poblet JM, von Gernler MS, Drewello T, de Oliveira P, Keita B, Kortz U. Polyoxopalladates encapsulating 8-coordinated metal ions, [MO8Pd(II)12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO3(2-), PhPO3(2-), SeO3(2-)). Inorganic Chemistry. 51: 13214-28. PMID 23194400 DOI: 10.1021/ic301537n  1
2012 Jiménez-Lozano P, Ivanchikova ID, Kholdeeva OA, Poblet JM, Carbó JJ. Alkene oxidation by Ti-containing polyoxometalates. Unambiguous characterization of the role of the protonation state. Chemical Communications (Cambridge, England). 48: 9266-8. PMID 22885988 DOI: 10.1039/c2cc34577c  1
2012 López X, Carbó JJ, Bo C, Poblet JM. Structure, properties and reactivity of polyoxometalates: a theoretical perspective. Chemical Society Reviews. 41: 7537-71. PMID 22885565 DOI: 10.1039/c2cs35168d  1
2012 McGregor D, Burton-Pye BP, Mbomekalle IM, Aparicio PA, Romo S, López X, Poblet JM, Francesconi LC. 99Tc and Re incorporated into metal oxide polyoxometalates: oxidation state stability elucidated by electrochemistry and theory. Inorganic Chemistry. 51: 9017-28. PMID 22839965 DOI: 10.1021/ic3011713  1
2012 Osuna S, Valencia R, Rodríguez-Fortea A, Swart M, Solà M, Poblet JM. Full exploration of the Diels-Alder cycloaddition on metallofullerenes M3N@C80 (M = Sc, Lu, Gd): the D(5h) versus I(h) isomer and the influence of the metal cluster. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 8944-56. PMID 22692922 DOI: 10.1002/chem.201200940  1
2012 Vilà N, Aparicio PA, Sécheresse F, Poblet JM, López X, Mbomekallé IM. Electrochemical behavior of α1/α2-[Fe(H2O)P2W17O61](7-) isomers in solution: experimental and DFT studies. Inorganic Chemistry. 51: 6129-38. PMID 22582705 DOI: 10.1021/ic300090f  1
2012 Chen N, Beavers CM, Mulet-Gas M, Rodríguez-Fortea A, Munoz EJ, Li YY, Olmstead MM, Balch AL, Poblet JM, Echegoyen L. Sc2S@C(s)(10528)-C72: a dimetallic sulfide endohedral fullerene with a non isolated pentagon rule cage. Journal of the American Chemical Society. 134: 7851-60. PMID 22519825 DOI: 10.1021/ja300765z  1
2012 Dunk PW, Kaiser NK, Mulet-Gas M, Rodríguez-Fortea A, Poblet JM, Shinohara H, Hendrickson CL, Marshall AG, Kroto HW. The smallest stable fullerene, M@C28 (m = Ti, Zr, U): stabilization and growth from carbon vapor. Journal of the American Chemical Society. 134: 9380-9. PMID 22519801 DOI: 10.1021/ja302398h  1
2012 Li FF, Rodríguez-Fortea A, Peng P, Campos Chavez GA, Poblet JM, Echegoyen L. Electrosynthesis of a Sc3N@I(h)-C80 methano derivative from trianionic Sc3N@I(h)-C80. Journal of the American Chemical Society. 134: 7480-7. PMID 22475512 DOI: 10.1021/ja3008038  1
2012 Osuna S, Rodríguez-Fortea A, Poblet JM, Solà M, Swart M. Product formation in the Prato reaction on Sc3N@D(5h)-C80: preference for [5,6]-bonds, and not pyracylenic bonds. Chemical Communications (Cambridge, England). 48: 2486-8. PMID 22241074 DOI: 10.1039/c2cc17210k  1
2012 Vilà-Nadal L, Mitchell SG, Long DL, Rodríguez-Fortea A, López X, Poblet JM, Cronin L. Exploring the rotational isomerism in non-classical Wells-Dawson anions {W18X}: a combined theoretical and mass spectrometry study. Dalton Transactions (Cambridge, England : 2003). 41: 2264-71. PMID 22193917 DOI: 10.1039/c2dt11919f  1
2012 Marrot J, Pilette MA, Haouas M, Floquet S, Taulelle F, López X, Poblet JM, Cadot E. Polyoxometalates paneling through {Mo2O2S2} coordination: cation-directed conformations and chemistry of a supramolecular hexameric scaffold. Journal of the American Chemical Society. 134: 1724-37. PMID 22148636 DOI: 10.1021/ja2090383  1
2012 Kandasamy B, Wills C, McFarlane W, Clegg W, Harrington RW, Rodríguez-Fortea A, Poblet JM, Bruce PG, Errington RJ. An alkoxido-tin-substituted polyoxometalate [(MeO)SnW5O18]3-: the first member of a new family of reactive {SnW5} Lindqvist-type anions. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 59-62. PMID 22147370 DOI: 10.1002/chem.201103544  1
2012 Aparicio-Anglès X, Miró P, Clotet A, Bo C, Poblet JM. Polyoxometalates adsorbed on metallic surfaces: Immediate reduction of [SiW 12O 40] 4- on Ag(100) Chemical Science. 3: 2020-2027. DOI: 10.1039/c2sc20210g  1
2012 Alegret N, Mulet-Gas M, Aparicio-Angls X, Rodríguez-Fortea A, Poblet JM. Electronic structure of IPR and non-IPR endohedral metallofullerenes: Connecting orbital and topological rules Comptes Rendus Chimie. 15: 152-158. DOI: 10.1016/j.crci.2011.09.004  1
2012 Alegret N, Santos E, Rodríguez-Fortea A, Rius FX, Poblet JM. Disruption of small double stranded DNA molecules on carbon nanotubes: A molecular dynamics study Chemical Physics Letters. 525: 120-124. DOI: 10.1016/j.cplett.2011.12.077  1
2012 Vilà-Nadal L, Romo S, López X, Poblet JM. Structural and electronic features of Wells-Dawson polyoxometalates Nato Science For Peace and Security Series B: Physics and Biophysics. 171-183. DOI: 10.1007/978-94-007-5548-2-10  1
2011 El Moll H, Nohra B, Mialane P, Marrot J, Dupré N, Riflade B, Malacria M, Thorimbert S, Hasenknopf B, Lacôte E, Aparicio PA, López X, Poblet JM, Dolbecq A. Lanthanide polyoxocationic complexes: experimental and theoretical stability studies and Lewis acid catalysis. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 14129-38. PMID 22076707 DOI: 10.1002/chem.201101754  1
2011 Vilà-Nadal L, Mitchell SG, Rodríguez-Fortea A, Miras HN, Cronin L, Poblet JM. Connecting theory with experiment to understand the initial nucleation steps of heteropolyoxometalate clusters. Physical Chemistry Chemical Physics : Pccp. 13: 20136-45. PMID 21869968 DOI: 10.1039/c1cp21209e  1
2011 Vilà-Nadal L, Wilson EF, Miras HN, Rodríguez-Fortea A, Cronin L, Poblet JM. Combined theoretical and mass spectrometry study of the formation-fragmentation of small polyoxomolybdates. Inorganic Chemistry. 50: 7811-9. PMID 21766888 DOI: 10.1021/ic200969h  1
2011 Aparicio-Anglès X, Clotet A, Bo C, Poblet JM. Towards the computational modelling of polyoxoanions on metal surfaces: IR spectrum characterisation of [SiW12O40](4-) on Ag(111). Physical Chemistry Chemical Physics : Pccp. 13: 15143-7. PMID 21743939 DOI: 10.1039/c0cp02602f  1
2011 Aguado-Ullate S, Carbó JJ, González-del Moral O, Martín A, Mena M, Poblet JM, Santamaría C. Ammonia activation by μ3-alkylidyne fragments supported on a titanium molecular oxide model. Inorganic Chemistry. 50: 6269-79. PMID 21619036 DOI: 10.1021/ic2006327  1
2011 Garcia-Ratés M, Miró P, Poblet JM, Bo C, Avalos JB. Dynamics of encapsulated water inside Mo132 cavities. The Journal of Physical Chemistry. B. 115: 5980-92. PMID 21510629 DOI: 10.1021/jp110328z  1
2011 Rodríguez-Fortea A, Balch AL, Poblet JM. Endohedral metallofullerenes: a unique host-guest association. Chemical Society Reviews. 40: 3551-63. PMID 21505658 DOI: 10.1039/c0cs00225a  1
2011 Mercado BQ, Chen N, Rodríguez-Fortea A, Mackey MA, Stevenson S, Echegoyen L, Poblet JM, Olmstead MM, Balch AL. 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(3v)(8)-C82. Journal of the American Chemical Society. 133: 6752-60. PMID 21473581 DOI: 10.1021/ja200289w  1
2011 Antonova NS, Carbó JJ, Poblet JM. Theoretical characterization of a Ru N-heterocyclic carbene derivative of a polyoxometalate. Enhanced π-interaction in oxide supported TM-organic linkages. Dalton Transactions (Cambridge, England : 2003). 40: 2975-82. PMID 21327242 DOI: 10.1039/c0dt01489c  1
2011 Li FF, Rodríguez-Fortea A, Poblet JM, Echegoyen L. Reactivity of metallic nitride endohedral metallofullerene anions: electrochemical synthesis of a Lu3N@Ih-C80 derivative. Journal of the American Chemical Society. 133: 2760-5. PMID 21291215 DOI: 10.1021/ja110160j  1
2011 García-Sansegundo J, Poblet J, Alonso JL, Clariana P. Hinterland-foreland zonation of the Variscan Orogen in the central Pyrenees: Comparison with the northern part of the Iberian Variscan Massif Geological Society Special Publication. 349: 169-184. DOI: 10.1144/SP349.9  1
2011 Masini M, Bigi S, Poblet J, Bulnes M, Cuia RD, Casabianca D. Kinematic evolution and strain simulation, based on cross-section restoration, of the Maiella Mountain: An analogue for oil fields in the Apennines (Italy) Geological Society Special Publication. 349: 25-44. DOI: 10.1144/SP349.2  1
2011 Poblet J, Lisle RJ. Kinematic evolution and structural styles of fold-and-thrust belts Geological Society Special Publication. 349: 1-24. DOI: 10.1144/SP349.1  1
2011 Soleimany B, Poblet J, Bulnes M, Sàbat F. Fold amplification history unravelled from growth strata: The Dorood anticline, NW Persian Gulf Journal of the Geological Society. 168: 219-234. DOI: 10.1144/0016-76492010-085  1
2011 Aguado-Ullate S, Carbó JJ, González-Del Moral O, Gómez-Pantoja M, Hernán-Gómez A, Martín A, Mena M, Poblet JM, Santamaría C. Discovering the chemical reactivity of the molecular oxonitride [{Ti(η5-C5Me5)(μ-O)}3(μ 3-N)] Journal of Organometallic Chemistry. 696: 4011-4017. DOI: 10.1016/j.jorganchem.2011.06.023  1
2011 López X, Miró P, Carbó JJ, Rodríguez-Fortea A, Bo C, Poblet JM. Current trends in the computational modelling of polyoxometalates Theoretical Chemistry Accounts. 128: 393-404. DOI: 10.1007/s00214-010-0820-9  1
2011 Rodríguez-Fortea A, Irle S, Poblet JM. Fullerenes: Formation, stability, and reactivity Wiley Interdisciplinary Reviews: Computational Molecular Science. 1: 350-367. DOI: 10.1002/wcms.21  1
2011 Bo C, Poblet JM. Electronic properties and molecular simulations of polyoxometalates Israel Journal of Chemistry. 51: 228-237. DOI: 10.1002/ijch.201100017  1
2010 Alegret N, Chaur MN, Santos E, Rodríguez-Fortea A, Echegoyen L, Poblet JM. Bingel-Hirsch reactions on non-IPR Gd3N@C2n (2n = 82 and 84). The Journal of Organic Chemistry. 75: 8299-302. PMID 21058722 DOI: 10.1021/jo101620b  1
2010 McGlone T, Vilà-Nadal L, Miras HN, Long DL, Poblet JM, Cronin L. Assembly of titanium embedded polyoxometalates with unprecedented structural features. Dalton Transactions (Cambridge, England : 2003). 39: 11599-604. PMID 21052605 DOI: 10.1039/c0dt01327g  1
2010 Rodríguez-Fortea A, Alegret N, Balch AL, Poblet JM. The maximum pentagon separation rule provides a guideline for the structures of endohedral metallofullerenes. Nature Chemistry. 2: 955-61. PMID 20966952 DOI: 10.1038/nchem.837  1
2010 Mercado BQ, Stuart MA, Mackey MA, Pickens JE, Confait BS, Stevenson S, Easterling ML, Valencia R, Rodríguez-Fortea A, Poblet JM, Olmstead MM, Balch AL. Sc2(mu2-O) trapped in a fullerene cage: the isolation and structural characterization of Sc2(mu2-O)@C(s)6-C82 and the relevance of the thermal and entropic effects in fullerene isomer selection. Journal of the American Chemical Society. 132: 12098-105. PMID 20698534 DOI: 10.1021/ja104902e  1
2010 Barsukova M, Izarova NV, Biboum RN, Keita B, Nadjo L, Ramachandran V, Dalal NS, Antonova NS, Carbó JJ, Poblet JM, Kortz U. Polyoxopalladates encapsulating yttrium and lanthanide ions, [X(III)Pd(II)12(AsPh)8O32]5- (X=Y, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu). Chemistry (Weinheim An Der Bergstrasse, Germany). 16: 9076-85. PMID 20589852 DOI: 10.1002/chem.201000631  1
2010 Mbomekallé IM, López X, Poblet JM, Sécheresse F, Keita B, Nadjo L. Influence of the heteroatom size on the redox potentials of selected polyoxoanions. Inorganic Chemistry. 49: 7001-6. PMID 20586427 DOI: 10.1021/ic100675h  1
2010 Chen N, Chaur MN, Moore C, Pinzón JR, Valencia R, Rodríguez-Fortea A, Poblet JM, Echegoyen L. Synthesis of a new endohedral fullerene family, Sc2S@C2n (n = 40-50) by the introduction of SO2. Chemical Communications (Cambridge, England). 46: 4818-20. PMID 20502815 DOI: 10.1039/c0cc00835d  1
2010 Antonova NS, Carbó JJ, Kortz U, Kholdeeva OA, Poblet JM. Mechanistic insights into alkene epoxidation with H2O2 by Ti- and other TM-containing polyoxometalates: role of the metal nature and coordination environment. Journal of the American Chemical Society. 132: 7488-97. PMID 20446693 DOI: 10.1021/ja1023157  1
2010 de Graaf C, López X, Ramos JL, Poblet JM. Ab initio study of the antiferromagnetic coupling in the wheel-shaped [Cu20Cl(OH)24(H2O)12(P8W48O184)]25- anion. Physical Chemistry Chemical Physics : Pccp. 12: 2716-21. PMID 20200749 DOI: 10.1039/b920442c  1
2010 Mercado BQ, Olmstead MM, Beavers CM, Easterling ML, Stevenson S, Mackey MA, Coumbe CE, Phillips JD, Phillips JP, Poblet JM, Balch AL. A seven atom cluster in a carbon cage, the crystallographically determined structure of Sc4(mu3-O)3@Ih-C80. Chemical Communications (Cambridge, England). 46: 279-81. PMID 20024351 DOI: 10.1039/b918731f  1
2010 Vilà-Nadal L, Sarasa JP, Rodríguez-Fortea A, Igual J, Kazansky LP, Poblet JM. Towards the accurate calculation of 183W NMR chemical shifts in polyoxometalates: the relevance of the structure. Chemistry, An Asian Journal. 5: 97-104. PMID 19967735 DOI: 10.1002/asia.200900263  1
2010 Chaur MN, Aparicio-Anglès X, Mercado BQ, Elliott B, Rodríguez-Fortea A, Clotet A, Olmstead MM, Balch AL, Poblet JM, Echegoyen L. Structural and electrochemical property correlations of metallic nitride endohedral metallofullerenes Journal of Physical Chemistry C. 114: 13003-13009. DOI: 10.1021/jp104352d  1
2010 López X, Vilà-Nadal L, Aparicio-Anglès X, Poblet JM. Theoretical View on the origin and implications of structural distortions in polyoxometalates Physics Procedia. 8: 94-103. DOI: 10.1016/j.phpro.2010.10.018  1
2010 Masini M, Bulnes M, Poblet J. Cross-section restoration: A tool to simulate deformation. Application to a fault-propagation fold from the Cantabrian fold and thrust belt, NW Iberian Peninsula Journal of Structural Geology. 32: 172-183. DOI: 10.1016/j.jsg.2009.11.002  1
2010 Fernández JA, Miró P, Bonet-Ávalos J, Bo C, Poblet JM. Electronic structure and surface properties of the mixed-valence doughnut shaped polyoxomolybdate nanocapsule Mo57V6 Inorganica Chimica Acta. 363: 4368-4373. DOI: 10.1016/j.ica.2010.07.019  1
2010 Lisle R, Poblet J. Preface: Structural analysis of fold-and-thrust belts Geological Journal. 45: 487-488. DOI: 10.1002/gj.1261  1
2010 Uzkeda H, Poblet J, Bulnes M. A geometric and kinematic model for double-edge propagating thrusts involving hangingwall and footwall folding. An example from the Jaca-Pamplona Basin (Southern Pyrenees) Geological Journal. 45: 506-520. DOI: 10.1002/gj.1205  1
2010 di Francesco L, Fabbi S, Santantonio M, Bigi S, Poblet J. Contribution of different kinematic models and a complex Jurassic stratigraphy in the construction of a forward model for the Montagna dei Fiori fault-related fold (Central Apennines, Italy) Geological Journal. 45: 489-505. DOI: 10.1002/gj.1191  1
2010 Donoeva BG, Trubitsina TA, Antonova NS, Carbã JJ, Poblet JM, Al-Kadamany G, Kortz U, Kholdeeva OA. Epoxidation of Alkenes with H2O2 Catalyzed by Dititanium-Containing 19-Tungstodiarsenate(III): Experimental and Theoretical Studies European Journal of Inorganic Chemistry. 5312-5317. DOI: 10.1002/ejic.201000615  1
2009 Mal SS, Bassil BS, Ibrahim M, Nellutla S, van Tol J, Dalal NS, Fernández JA, López X, Poblet JM, Biboum RN, Keita B, Kortz U. Wheel-shaped Cu(20)-tungstophosphate [Cu(20)X(OH)(24)(H(2)O)(12)(P(8)W(48)O(184))](25-) ion (X = Cl, Br, I) and the role of the halide guest. Inorganic Chemistry. 48: 11636-45. PMID 19938855 DOI: 10.1021/ic901641f  1
2009 Carbó JJ, Martínez-Espada N, Mena M, Mosquera ME, Poblet JM, Yélamos C. Lewis base behavior of bridging nitrido ligands of titanium polynuclear complexes. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 11619-31. PMID 19777519 DOI: 10.1002/chem.200901598  1
2009 Valencia R, Rodríguez-Fortea A, Clotet A, de Graaf C, Chaur MN, Echegoyen L, Poblet JM. Electronic structure and redox properties of metal nitride endohedral fullerenes M(3)N@C(2n) (M=Sc, Y, La, and Gd; 2n=80, 84, 88, 92, 96). Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 10997-1009. PMID 19760713 DOI: 10.1002/chem.200900728  1
2009 Müller A, Sousa FL, Merca A, Bögge H, Miró P, Fernández JA, Poblet JM, Bo C. Supramolecular chemistry on a cluster surface: fixation/complexation of potassium and ammonium ions with crown-ether-like rings. Angewandte Chemie (International Ed. in English). 48: 5934-7. PMID 19582749 DOI: 10.1002/anie.200902137  1
2009 Vilà-Nadal L, Rodríguez-Fortea A, Yan LK, Wilson EF, Cronin L, Poblet JM. Nucleation mechanisms of molecular oxides: a study of the assembly-dissassembly of [W6O19]2- by theory and mass spectrometry. Angewandte Chemie (International Ed. in English). 48: 5452-6. PMID 19544339 DOI: 10.1002/anie.200901348  1
2009 Valencia R, Rodríguez-Fortea A, Stevenson S, Balch AL, Poblet JM. Electronic structures of scandium oxide endohedral metallofullerenes, Sc(4)(mu(3)-O)(n)@I(h)-C(80) (n = 2, 3). Inorganic Chemistry. 48: 5957-61. PMID 19518077 DOI: 10.1021/ic900686a  1
2009 Chaur MN, Valencia R, Rodríguez-Fortea A, Poblet JM, Echegoyen L. Trimetallic nitride endohedral fullerenes: experimental and theoretical evidence for the M3N6+@C2n6- model. Angewandte Chemie (International Ed. in English). 48: 1425-8. PMID 19145619 DOI: 10.1002/anie.200802777  1
2009 Mitra T, Miró P, Tomsa AR, Merca A, Bögge H, Avalos JB, Poblet JM, Bo C, Müller A. Gated and differently functionalized (new) porous capsules direct encapsulates' structures: higher and lower density water. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 1844-52. PMID 19130528 DOI: 10.1002/chem.200801602  1
2009 Pinzón JR, Cardona CM, Herranz MA, Plonska-Brzezinska ME, Palkar A, Athans AJ, Martín N, Rodríguez-Fortea A, Poblet JM, Bottari G, Torres T, Gayathri SS, Guldi DM, Echegoyen L. Metal nitride cluster fullerene M3N@C80 (M=Y, Sc) based dyads: synthesis, and electrochemical, theoretical and photophysical studies. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 864-77. PMID 19053104 DOI: 10.1002/chem.200801559  1
2009 Miró P, Poblet JM, Ávalos JB, Bo C. Towards a computational treatment of polyoxometalates in solution using QM methods and explicit solvent molecules Canadian Journal of Chemistry. 87: 1296-1301. DOI: 10.1139/V09-059  1
2009 Rodríguez-Fortea A, Valencia R, Poblet JM. Electronic structure of endohedral metallofullerenes: Evidences of the ionic model Aip Conference Proceedings. 1148: 729-732. DOI: 10.1063/1.3225422  1
2009 Antonova NS, Carbó JJ, Poblet JM. Quantifying the donor-acceptor properties of phosphine and N-heterocyclic carbene ligands in grubbs' catalysts using a modified EDA procedure based on orbital deletion Organometallics. 28: 4283-4287. DOI: 10.1021/om900180m  1
2009 De Graaf C, Caballol R, Romo S, Poblet JM. Ab initio study of the singlet-triplet splitting in reduced polyoxometalates Theoretical Chemistry Accounts. 123: 3-10. DOI: 10.1007/s00214-009-0553-9  1
2009 Vilà-Nadal L, Rodríguez-Fortea A, Poblet JM. Theoretical analysis of the possible intermediates in the formation of [W6O19]2- European Journal of Inorganic Chemistry. 5125-5133. DOI: 10.1002/ejic.200900714  1
2009 Carbó JJ, González-Del Moral O, Martín A, Mena M, Poblet JM, Santamaría C. Hydron-transfer processes involving an organotitanium oxide and alcohols European Journal of Inorganic Chemistry. 643-653. DOI: 10.1002/ejic.200801072  1
2009 Poblet JMP, Ribera MC, Ballester MF. The Euler buckling formula in the current design methods | La fórmula de pandeo de Euler en los métodos de diseño actuales Revista De Obras Publicas. 156: 51-60.  1
2008 Romo S, Antonova NS, Carbó JJ, Poblet JM. Influence of polyoxometalate ligands on the nature of high-valent transition metal nitrido species. A theoretical analysis of experimentally known and unprecedented compounds. Dalton Transactions (Cambridge, England : 2003). 5166-72. PMID 18813370 DOI: 10.1039/b807070a  1
2008 Rodríguez-Fortea A, Vilà-Nadal L, Poblet JM. Hydration of hydrogentungstate anions at different ph conditions: a car-parrinello molecular dynamics study. Inorganic Chemistry. 47: 7745-50. PMID 18683922 DOI: 10.1021/ic8007766  1
2008 Carbó JJ, González-del Moral O, Martín A, Mena M, Poblet JM, Santamaría C. Construction of titanasiloxanes by incorporation of silanols to the metal oxide model [(Ti(eta 5-C5Me5)(mu-O))3(mu3-CR)]: DFT elucidation of the reaction mechanism. Chemistry (Weinheim An Der Bergstrasse, Germany). 14: 7930-8. PMID 18613160 DOI: 10.1002/chem.200800630  1
2008 Leroy F, Miró P, Poblet JM, Bo C, Bonet Avalos J. Keggin polyoxoanions in aqueous solution: ion pairing and its effect on dynamic properties by molecular dynamics simulations. The Journal of Physical Chemistry. B. 112: 8591-9. PMID 18590304 DOI: 10.1021/jp077098p  1
2008 Yan L, López X, Carbó JJ, Sniatynsky R, Duncan DC, Poblet JM. On the origin of alternating bond distortions and the emergence of chirality in polyoxometalate anions. Journal of the American Chemical Society. 130: 8223-33. PMID 18528985 DOI: 10.1021/ja711008n  1
2008 Valencia R, Rodríguez-Fortea A, Poblet JM. Understanding the stabilization of metal carbide endohedral fullerenes M2C2@C82 and related systems. The Journal of Physical Chemistry. A. 112: 4550-5. PMID 18438990 DOI: 10.1021/jp800419d  1
2008 Osuna S, Swart M, Campanera JM, Poblet JM, Solà M. Chemical reactivity of D3h C78 (metallo)fullerene: regioselectivity changes induced by Sc3N encapsulation. Journal of the American Chemical Society. 130: 6206-14. PMID 18412347 DOI: 10.1021/ja711167v  1
2008 Romo S, de Graaf C, Poblet JM. Mid-gap excitations in Anderson polyoxometalates Chemical Physics Letters. 450: 391-395. DOI: 10.1016/j.cplett.2007.11.058  1
2007 Valencia R, Rodríguez-Fortea A, Poblet JM. Large fullerenes stabilized by encapsulation of metallic clusters. Chemical Communications (Cambridge, England). 4161-3. PMID 17925962 DOI: 10.1039/b709548a  1
2007 Fernandez JA, López X, Bo C, de Graaf C, Baerends EJ, Poblet JM. Polyoxometalates with internal cavities: redox activity, basicity, and cation encapsulation in [Xn+P5W30O110](15-n)- Preyssler complexes, with X = Na+, Ca2+, Y3+, La3+, Ce3+, and Th4+. Journal of the American Chemical Society. 129: 12244-53. PMID 17854187 DOI: 10.1021/ja0737321  1
2007 Lukoyanova O, Cardona CM, Rivera J, Lugo-Morales LZ, Chancellor CJ, Olmstead MM, Rodríguez-Fortea A, Poblet JM, Balch AL, Echegoyen L. "Open rather than closed" malonate methano-fullerene derivatives. The formation of methanofulleroid adducts of Y3N@C80. Journal of the American Chemical Society. 129: 10423-30. PMID 17672457 DOI: 10.1021/ja071733n  1
2007 Romo S, Fernández JA, Maestre JM, Keita B, Nadjo L, de Graaf C, Poblet JM. Density functional theory and ab initio study of electronic and electrochemistry properties of the tetranuclear sandwich complex [FeIII4(H2O)2(PW9O34)2]6-. Inorganic Chemistry. 46: 4022-7. PMID 17447755 DOI: 10.1021/ic062030u  1
2007 Carbó JJ, Martín A, Mena M, Pérez-Redondo A, Poblet JM, Yélamos C. Addition of terminal alkynes to a molecular titanium-zinc nitride. Angewandte Chemie (International Ed. in English). 46: 3095-8. PMID 17373022 DOI: 10.1002/anie.200604677  1
2007 Fernández JA, López X, Poblet JM. A DFT study on the effect of metal, anion charge, heteroatom and structure upon the relative basicities of polyoxoanions Journal of Molecular Catalysis a: Chemical. 262: 236-242. DOI: 10.1016/j.molcata.2006.08.065  1
2007 Poblet J, Bulnes M. Predicting strain using forward modelling of restored cross-sections: Application to rollover anticlines over listric normal faults Journal of Structural Geology. 29: 1960-1970. DOI: 10.1016/j.jsg.2007.08.003  1
2006 Rodríguez-Fortea A, Campanera JM, Cardona CM, Echegoyen L, Poblet JM. Dancing on a fullerene surface: isomerization of Y(3)N@(N-ethylpyrrolidino-C(80)) from the 6,6 to the 5,6 regioisomer. Angewandte Chemie (International Ed. in English). 45: 8176-80. PMID 17121401 DOI: 10.1002/anie.200604052  1
2006 Kholdeeva OA, Maksimov GM, Maksimovskaya RI, Vanina MP, Trubitsina TA, Naumov DY, Kolesov BA, Antonova NS, Carbó JJ, Poblet JM. Zr(IV)-monosubstituted Keggin-type dimeric polyoxometalates: synthesis, characterization, catalysis of H2O2-based oxidations, and theoretical study. Inorganic Chemistry. 45: 7224-34. PMID 16933923 DOI: 10.1021/ic0608142  1
2006 López X, Weinstock IA, Bo C, Sarasa JP, Poblet JM. Structural evolution in polyoxometalates: a DFT study of dimerization processes in Lindqvist and Keggin cluster anions. Inorganic Chemistry. 45: 6467-73. PMID 16878960 DOI: 10.1021/ic060112c  1
2006 López X, Fernández JA, Poblet JM. Redox properties of polyoxometalates: new insights on the anion charge effect. Dalton Transactions (Cambridge, England : 2003). 1162-7. PMID 16482352 DOI: 10.1039/b507599h  1
2006 Campanera JM, Bo C, Poblet JM. Exohedral reactivity of trimetallic nitride template (TNT) endohedral metallofullerenes. The Journal of Organic Chemistry. 71: 46-54. PMID 16388616 DOI: 10.1021/jo051665s  1
2006 Rodríguez-Fortea A, de Graaf C, Poblet JM. Ab initio and DFT study of the exchange coupling in the highly reduced polyoxoanion [PMo12O40(VO)2]5- Chemical Physics Letters. 428: 88-92. DOI: 10.1016/j.cplett.2006.06.050  1
2006 García-Castro M, Martín A, Mena M, Poblet JM, Yélamos C. Iodine attack on the metalloligand [{Ti(η5-C 5Me5)(μ-NH)}3(μ3-N)]: Surprising formation of the [Ti3(η5-C 5Me5)3I2(μ-NH) 3(NH3)]+ cation European Journal of Inorganic Chemistry. 1155-1160. DOI: 10.1002/ejic.200500840  1
2006 Gracia J, Poblet JM, Fernández JA, Autschbach J, Kazansky LP. DFT calculations of the 183W NMR chemical shifts in reduced polyoxotungstates European Journal of Inorganic Chemistry. 1149-1154. DOI: 10.1002/ejic.200500833  1
2006 Gracia J, Poblet JM, Autschbach J, Kazansky LP. Density-functional calculation of the 183W and 17O NMR chemical shifts for large polyoxotungstates European Journal of Inorganic Chemistry. 1139-1148. DOI: 10.1002/ejic.200500832  1
2005 López X, de Graaf C, Maestre JM, Bénard M, Rohmer MM, Bo C, Poblet JM. Highly Reduced Polyoxometalates:  Ab Initio and DFT Study of [PMo8V4O40(VO)4](5)(.). Journal of Chemical Theory and Computation. 1: 856-61. PMID 26641902 DOI: 10.1021/ct050040z  1
2005 López X, Nieto-Draghi C, Bo C, Avalos JB, Poblet JM. Polyoxometalates in solution: Molecular dynamics simulations on the alpha-PW12O40(3-) Keggin anion in aqueous media. The Journal of Physical Chemistry. A. 109: 1216-22. PMID 16833432 DOI: 10.1021/jp046862u  1
2005 Campanera JM, Bo C, Poblet JM. General rule for the stabilization of fullerene cages encapsulating trimetallic nitride templates. Angewandte Chemie (International Ed. in English). 44: 7230-3. PMID 16224755 DOI: 10.1002/anie.200501791  1
2005 Campanera JM, Bo C, Balch AL, Ferré J, Poblet JM. Prediction of heterofullerene stabilities: a combined DFT and chemometric study of C56Pt2, C57Pt2 and C81Pt2. Chemistry (Weinheim An Der Bergstrasse, Germany). 11: 2730-42. PMID 15736280 DOI: 10.1002/chem.200400814  1
2005 García-Castro M, Gracia J, Martín A, Mena M, Poblet JM, Sarasa JP, Yélamos C. Synthetic and theoretical study of the incorporation of metal halides in [{Ti(eta5-C5Me5)(mu-NH)}3(mu3-N)]. Chemistry (Weinheim An Der Bergstrasse, Germany). 11: 1030-41. PMID 15614870 DOI: 10.1002/chem.200400553  1
2005 Hardy S, Poblet J. A method for relating fault geometry, slip rate and uplift data above fault-propagation folds Basin Research. 17: 417-424. DOI: 10.1111/j.1365-2117.2005.00268.x  1
2005 Poblet J, Bulnes M. Fault-slip, bed-length and area variations in experimental rollover anticlines over listric normal faults: Influence in extension and depth to detachment estimations Tectonophysics. 396: 97-117. DOI: 10.1016/j.tecto.2004.11.005  1
2005 Poblet J, Bulnes M, McClay K, Hardy S. Plots of crestal structural relief and fold area versus shortening - A graphical technique to unravel the kinematics of thrust-related folds Aapg Memoir. 372-399.  1
2004 Segarra AM, Daura-Oller E, Claver C, Poblet JM, Bo C, Fernández E. In quest of factors that control the enantioselective catalytic Markovnikov hydroboration/oxidation of vinylarenes. Chemistry (Weinheim An Der Bergstrasse, Germany). 10: 6456-67. PMID 15540267 DOI: 10.1002/chem.200400574  1
2004 López X, Poblet JM. DFT study on the five isomers of PW(12)O(40)(3)(-): relative stabilization upon reduction. Inorganic Chemistry. 43: 6863-5. PMID 15500315 DOI: 10.1021/ic049119p  1
2004 Campanera JM, Muñoz J, Vázquez J, Bo C, Poblet JM. Organometallic derivatives of fullerenes: a DFT study of (eta2-Cx)[Pt(PH3)2]n (x = 60, 70, 84; n = 1-6). Inorganic Chemistry. 43: 6815-21. PMID 15476382 DOI: 10.1021/ic048996s  1
2004 López X, Fernández JA, Romo S, Paul JF, Kazansky L, Poblet JM. Are the solvent effects critical in the modeling of polyoxoanions? Journal of Computational Chemistry. 25: 1542-9. PMID 15224398 DOI: 10.1002/jcc.20083  1
2004 Daura-Oller E, Segarra AM, Poblet JM, Claver C, Fernández E, Bo C. On the origin of regio- and stereoselectivity in the rhodium-catalyzed vinylarenes hydroboration reaction. The Journal of Organic Chemistry. 69: 2669-80. PMID 15074912 DOI: 10.1021/jo035392h  1
2004 Kholdeeva OA, Trubitsina TA, Maksimovskaya RI, Golovin AV, Neiwert WA, Kolesov BA, López X, Poblet JM. First isolated active titanium peroxo complex: characterization and theoretical study. Inorganic Chemistry. 43: 2284-92. PMID 15046503 DOI: 10.1021/ic0354466  1
2004 Dorogov KY, Dumont E, Ho NN, Churakov AV, Kuzmina LG, Poblet JM, Schultz AJ, Howard JAK, Bau R, Lledos A, Nikonov GI. Neutron and X-ray diffraction studies and DFT calculations of asymmetric Bis(silyl) niobocene hydrides Organometallics. 23: 2845-2847. DOI: 10.1021/om034239a  1
2004 Hayashi A, Xie Y, Poblet JM, Campanera JM, Lebrilla CB, Balch AL. Mass Spectrometric and Computational Studies of Heterofullerenes ([C 58Pt] -, [C 59Pt] +) Obtained by Laser Ablation of Electrochemically Deposited Films Journal of Physical Chemistry A. 108: 2192-2198. DOI: 10.1021/jp035876h  1
2004 Martínez JI, Castro A, Rubio A, Poblet JM, Alonso JA. Calculation of the optical spectrum of the Ti8C12 and V8C12 Met-Cars Chemical Physics Letters. 398: 292-296. DOI: 10.1016/j.cplett.2004.09.058  1
2004 Wilkerson MS, Wilson JM, Poblet J, Fischer MP. DETACH: An Excel spreadsheet to simulate 2-D cross sections of detachment folds Computers and Geosciences. 30: 1069-1077. DOI: 10.1016/j.cageo.2004.08.003  1
2003 Poblet JM, López X, Bo C. Ab initio and DFT modelling of complex materials: towards the understanding of electronic and magnetic properties of polyoxometalates. Chemical Society Reviews. 32: 297-308. PMID 14518183  1
2003 Vázquez J, Bo C, Poblet JM, de Pablo J, Bruno J. DFT studies of uranyl acetate, carbonate, and malonate, complexes in solution. Inorganic Chemistry. 42: 6136-41. PMID 12971787 DOI: 10.1021/ic0342393  1
2003 Abarca A, Galakhov MV, Gracia J, Martín A, Mena M, Poblet JM, Sarasa JP, Yélamos C. Molecular nitrides containing group 4 and 5 metals: single and double azatitanocubanes. Chemistry (Weinheim An Der Bergstrasse, Germany). 9: 2337-46. PMID 12772309 DOI: 10.1002/chem.200204593  1
2003 López X, Bo C, Poblet JM, Sarasa JP. Relative stability in alpha- and beta-Wells-Dawson heteropolyanions: a DFT study of [P2M18O62]n- (M = W and Mo) and [P2W15V3O62]n-. Inorganic Chemistry. 42: 2634-8. PMID 12691571 DOI: 10.1021/ic0262280  1
2003 Gracia J, Martín A, Mena M, Morales-Varela Mdel C, Poblet JM, Santamaría C. Intercalation of alkali metal cations into layered organotitanium oxides. Angewandte Chemie (International Ed. in English). 42: 927-30. PMID 12596180 DOI: 10.1002/anie.200390246  1
2003 Daura-Oller E, Poblet JM, Bo C. On the importance of electronic and steric effects in the migratory CO insertion step of rhodium-diphosphine catalyzed methanol carbonylation Dalton Transactions. 92-98. DOI: 10.1039/b206610f  1
2003 Masaferro JL, Bulnes M, Poblet J, Casson N. Kinematic evolution and fracture prediction of the Valle Morado structure inferred from 3-D seismic data, Salta province, northwest Argentina Aapg Bulletin. 87: 1083-1104.  1
2002 López X, Bo C, Poblet JM. Electronic properties of polyoxometalates: electron and proton affinity of mixed-addenda Keggin and Wells-Dawson anions. Journal of the American Chemical Society. 124: 12574-82. PMID 12381202 DOI: 10.1021/ja020407z  1
2002 Maestre JM, Lopez X, Bo C, Poblet JM, Daul C. A DFT study of the electronic spectrum of the alpha-keggin anion [Co(II)W(12)O(40)](6-). Inorganic Chemistry. 41: 1883-8. PMID 11925184 DOI: 10.1021/ic0110676  1
2002 Campanera JM, Bo C, Olmstead MM, Balch AL, Poblet JM. Bonding within the endohedral fullerenes Sc3NΓ78 and Sc3NΓ80 as determined by density functional calculations and reexamination of the crystal structure of {Sc3NΓ78}·{Co(OEP)}·1.5(C6H 6)·0.3(CHCl3) Journal of Physical Chemistry A. 106: 12356-12364. DOI: 10.1021/jp021882m  1
2002 Masaferro JL, Bulnes M, Poblet J, Eberli GP. Episodic folding inferred from syntectonic carbonate sedimentation: The Santaren anticline, Bahamas foreland Sedimentary Geology. 146: 11-24. DOI: 10.1016/S0037-0738(01)00163-4  1
2001 Freitag K, Gracia J, Martín A, Mena M, Poblet JM, Sarasa JP, Yélamos C. Rhodium/iridium-titanium azaheterometallocubanes. Chemistry (Weinheim An Der Bergstrasse, Germany). 7: 3645-51. PMID 11575765  1
2001 López X, Maestre JM, Bo C, Poblet JM. Electronic properties of polyoxometalates: a DFT study of alpha/beta-[XM(12)O(40)](n-) relative stability (M=W, Mo and X a main group element). Journal of the American Chemical Society. 123: 9571-6. PMID 11572677 DOI: 10.1021/ja010768z  1
2001 Maestre JM, Lopez X, Bo C, Poblet JM, Casañ-Pastor N. Electronic and magnetic properties of alpha-Keggin anions: A DFT study of [XM12O40](n-), (M = W, Mo; X = Al(III), Si(IV), P(V), Fe(III), Co(II), Co(III)) and [SiM11VO40](m- (M = Mo and W). Journal of the American Chemical Society. 123: 3749-58. PMID 11457107 DOI: 10.1021/ja003563j  1
2001 Taulelle F, Poblet JM, Férey G, Bénard M. Trapping of an activated HF molecule inside a double four-ring unit: a quantum chemical model of the microporous fluorinated gallium phosphate ULM-18. Journal of the American Chemical Society. 123: 111-20. PMID 11273607 DOI: 10.1021/ja0022167  1
2000 Abarca A, Gómez-Sal P, Martín A, Mena M, Poblet JM, Yélamos C. Ammonolysis of mono(pentamethylcyclopentadienyl) titanium(IV) derivatives. Inorganic Chemistry. 39: 642-51. PMID 11272557 DOI: 10.1021/ic9907718  1
2000 Abarca A, Galakhov M, Gómez-Sal P, Martín A, Mena M, Poblet JM, Santamaría C, Sarasa JP. Construction of Heterometallic Cubanes Angewandte Chemie (International Ed. in English). 39: 534-537. PMID 10671248 DOI: 10.1002/(SICI)1521-3773(20000204)39:3<534::AID-ANIE534>3.0.CO;2-3  1
2000 Sarasa JP, Poblet JM, Bénard M. M4X4 structures in transition metal chemistry: cubane-like or planar? A DFT study of some clusters containing the M4X4 core (M = Ti, V, Mo; X = N, P, As) Organometallics. 19: 2264-2272. DOI: 10.1021/om990986p  1
2000 Fernandez E, Bo C, Poblet JM. How the electronic and steric properties of the ligand can determine the stability of the asymmetric dinuclear carbonyl-phosphite Rh (0) complex (CO)2 (P(O-o-(t)BuPh)3) Rh-Rh (P(O-o-(t)BuPh)3) (CO)3 Inorganic Chemistry Communications. 3: 19-23. DOI: 10.1016/S1387-7003(99)00173-2  1
2000 McClay K, Dooley T, Ferguson A, Poblet J. Tectonic evolution of the Sanga Sanga Block, Mahakam Delta, Kalimantan, Indonesia Aapg Bulletin. 84: 765-786.  1
1996 Bo C, Costas M, Poblet JM, Rohmer MM, Benard M. Electronic Structure of Rh(2)(&mgr;-CO)(CO)(2)(H(2)PCH(2)PH(2))(2). An Example of a Non-A-Frame Structure. Inorganic Chemistry. 35: 3298-3306. PMID 11666532  1
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