Publications

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Abarca, B; Aucejo, R; Ballesteros, R; Blanco, F; García-España, E
"Synthesis of novel fluorescent 3-aryl- and 3-methyl-7-aryl-[1,2,3]triazolo[1,5-a]pyridines by Suzuki cross-coupling reactions"
Tetrahedron Lett. 47 2006 | 10.1016/j.tetlet.2006.09.051
Albelda, MT; García-España, E; Jiménez, HR; Llinares, JM; Soriano, C; Sornosa-Ten, A; Verdejo, B
"Cu2+ and AMP complexation of enlarged tripodal polyamines"
Dalton Trans. 2006 | 10.1039/b605639c
Alvaro, M; Aprile, C; Garcia, H; Gómez-García, CJ
"Synthesis of a hydrothermally stable, periodic mesoporous material containing magnetite nanoparticles, and the preparation of oriented films"
Adv. Funct. Mater. 16 2006 | 10.1002/adfm.200500766
Alves, CN; Carneiro, AS; Andrés, J; Domingo, LR
"A DFT study of the Diels-Alder reaction between methyl acrolein derivatives and cyclopentadiene.: Understanding the effects of Lewis acids catalysts based on sulfur containing boron heterocycles"
Tetrahedron 62 2006 | 10.1016/j.tet.2006.03.037
Amriou, S; Wang, CS; Batsanov, AS; Bryce, MR; Perepichka, DF; Ortí, E; Viruela, R; Vidal-Gancedo, J; Rovira, C
"The interplay of inverted redox potentials and aromaticity in the oxidized states of new ?-electron donors:: 9-(1,3-dithiol-2-ylidene)fluorene and 9-(1,3-dithiol-2-ylidene)thioxanthene derivatives"
Chem.-Eur. J. 12 2006 | 10.1002/chem.200501326
Aquilante, F; Pedersen, TB; de Merás, AS; Koch, H
"Fast noniterative orbital localization for large molecules"
J. Chem. Phys. 125 174101 2006 | 10.1063/1.2360264
Armentano, D; De Munno, G; Guerra, F; Julve, M; Lloret, F
"Ligand effects on the structures of extended networks of dicyanamide-containing transition-metal ions"
Inorg. Chem. 45 2006 | 10.1021/ic060044u
Basallote, MG; Doménech, A; Ferrer, A; García-España, E; Llinares, JM; Máñez, MA; Soriano, C; Verdejo, B
"Synthesis and Cu(II) coordination of two new hexaamines containing alternated propylenic and ethylenic chains:: Kinetic studies on pH-driven metal ion slippage movements"
Inorg. Chim. Acta 359 2006 | 10.1016/j.ica.2006.01.030
Berski, S; Andres, J; Silvi, B; Domingo, LR
"New findings on the Diels-Alder reactions. An analysis based on the bonding evolution theory"
J. Phys. Chem. A 110 2006 | 10.1021/jp068071t
Bisquert, J; Garcia-Belmonte, G; Montero, JM; Bolink, HJ
"Charge injection in organic light emitting diodes governed by interfacial states"
6192 619210 2006 | 10.1117/12.661454
Bisquert, J; Garcia-Belmonte, G; Pitarch, A; Bolink, HJ
"Negative capacitance caused by electron injection through interfacial states in organic light-emitting diodes"
Chem. Phys. Lett. 422 2006 | 10.1016/j.cplett.2006.02.060
Bisquert, J; Montero, JM; Bolink, HJ; Barea, EM; Garcia-Belmonte, G
"Thickness scaling of space-charge-limited currents in organic layers with field- or density-dependent mobility"
203 2006 | 10.1002/pssa.200622248
Bolink, HJ; Cappelli, L; Coronado, E; Grätzel, M; Nazeeruddin, MK
"Efficient and stable solid-state light-emitting electrochemical cell using tris(4,7-diphenyl-1,10-phenanthroline)ruthenium(II) hexafluorophosphate"
J. Am. Chem. Soc. 128 2006 | 10.1021/ja0565065
Bolink, HJ; Cappelli, L; Coronado, E; Grätzel, M; Orti, E; Costa, RD; Viruela, PM; Nazeeruddin, MK
"Stable single-layer light-emitting electrochemical cell using 4,7-diphenyl-1,10-phenanthroline-bis(2-phenylpyridine) iridium(III) hexafluorophosphate"
J. Am. Chem. Soc. 128 2006 | 10.1021/ja066416f
Bolink, HJ; Cappelli, L; Coronado, E; Parham, A; Stössel, P
"Green light-emitting solid-state electrochemical cell obtained from a homoleptic iridium(III) complex containing ionically charged ligands"
Chem. Mater. 18 2006 | 10.1021/cm052295r
Bolink, HJ; Cappelli, L; Coronado, E; Recalde, I
"Optimization of polymer blue-light-emitting devices by introducing a hole-injection layer doped with the molecular nanomagnet [Mn12O12(H2O)4(C6F5COO)16]"
Adv. Mater. 18 2006 | 10.1002/adma.200502694
Borin, AC; Serrano-Andrés, L; Ludwig, V; Coutinho, K; Canuto, S
"Theoretical electronic spectra of 2-aminopurine in vapor and in water"
Int. J. Quantum Chem. 106 2006 | 10.1002/qua.20967
Boronat, M; Corma, A; Renz, M; Viruela, PM
"Predicting the activity of single isolated Lewis acid sites in solid catalysts"
Chem.-Eur. J. 12 2006 | 10.1002/chem.200600478
Camps, P; Domingo, LR; Formosa, X; Galdeano, C; González, D; Muñoz-Torrero, D; Segalés, S; Font-Bardia, M; Solans, X
"Highly diastereoselective one-pot synthesis of spiro{cyclopenta[a]indene-2,2?-indene}diones from 1-indanones and aromatic aldehydes"
J. Org. Chem. 71 2006 | 10.1021/jo0600095
Cañadillas-Delgado, L; Fabelo, O; Ruíz-Pérez, C; Delgado, FS; Julve, M; Hernández-Molina, M; Laz, MM; Lorenzo-Luis, P
"Zeolite-like nanoporous gadolinium complexes incorporating alkaline cations"
Cryst. Growth Des. 6 2006 | 10.1021/cg050170t
Cañadillas-Delgado, L; Pasán, J; Fabelo, O; Hernández-Molina, M; Lloret, F; Julve, M; Ruiz-Pérez, C
"Two- and three-dimensional networks of gadolinium(III) with dicarboxylate ligands:: Synthesis, crystal structure, and magnetic properties"
Inorg. Chem. 45 2006 | 10.1021/ic061173d
Cao, DK; Xiao, J; Li, YZ; Clemente-Juan, JM; Coronado, E; Zheng, LM
"Metal phosphonates based on {[(benzimidazol-2-ylmethyl)imino]bis-(methylene)}bis(phosphonic acid):: Syntheses, structures and magnetic properties of the chain compounds [M{(C7H5N2)CH2N(CH2PO3H)2}] (M = Mn, Fe, Co, Cu, Cd)"
Eur. J. Inorg. Chem. 2006 | 10.1002/ejic.200500788
Castro, EA; Campodónico, PR; Contreras, R; Fuentealba, P; Santos, JG; Leis, JR; García-Río, L; Saez, JA; Domingo, LR
"Experimental and theoretical study on the substitution reactions of aryl 2,4-dinitrophenyl carbonates with quinuclidines"
Tetrahedron 62 2006 | 10.1016/j.tet.2005.12.044
Chadlaoui, M; Abarca, B; Ballesteros, R; de Arellano, CR; Aguilar, J; Aucejo, R; García-España, E
"Properties of a triazolopyridine system as a molecular chemosensor for metal ions, anions, and amino acids"
J. Org. Chem. 71 2006 | 10.1021/jo061326e
Chen, Y; Frey, H; Thomann, R; Stiriba, SE
"Optically active amphiphilic hyperbranched polyglycerols as templates for palladium nanoparticles"
Inorg. Chim. Acta 359 2006 | 10.1016/j.ica.2005.06.067
Chen, Y; Shen, Z; Gehringer, L; Frey, H; Stiriba, SE
"Supramolecular thermotropic liquid crystalline materials with nematic mesophase based on methylated hyperbranched polyethylenimine and mesogenic carboxylic acid"
Macromol. Rapid Commun. 27 2006 | 10.1002/marc.200500628
Chiozzone, R; Cuevas, A; González, R; Kremer, C; Armentano, D; De Munno, G; Faus, J
"Ligand substitution reactions of the [ReX6]2- (X = Cl, Br) anions.: Synthesis and crystal structure of novel oxalato complexes of rhenium(IV)"
Inorg. Chim. Acta 359 2006 | 10.1016/j.ica.2006.01.033
Ciclosi, M; Lloret, J; Estevan, F; Lahuerta, P; Sanaú, M; Pérez-Prieto, J
"A C3-symmetric palladium catalyst with a phosphorus-based tripodal ligand"
Angew. Chem.-Int. Edit. 45 2006 | 10.1002/anie.200601084
Clares, MP; Lodeiro, C; Fernández, D; Parola, AJ; Pina, F; García-España, E; Soriano, C; Tejero, R
"Specific interaction of citrate with bis(fluorophoric) bibrachial lariat aza-crown in comparison with the other components of the Krebs cycle"
Chem. Commun. 2006 | 10.1039/b607139b
Clemente-León, M; Coronado, E; Gómez-García, CJ; Soriano-Portillo, A
"Increasing the ordering temperatures in oxalate-based 3D chiral magnets:: the series [Ir(ppy)2(bpy)][MIIMIII(ox)3]•0.5H2O (MIIMIII = MnCr, FeCr, CoCr, NiCr, ZnCr, MnFe, FeFe); bpy=2,2?-bipyridine; ppy=2-phenylpyridine; ox = oxalate dianion)"
Inorg. Chem. 45 2006 | 10.1021/ic060442x
Clemente-León, M; Coronado, E; Soriano-Portillo, A; Colacio, E; Domínguez-Vera, JM; Gálvez, N; Madueño, R; Martín-Romero, MT
"Magnetic Langmuir-Blodgett films of ferritin with different iron contents"
Langmuir 22 2006 | 10.1021/la061284p
Climent, T; González-Luque, R; Merchán, M; Serrano-Andrés, L
"Theoretical insight into the spectroscopy and photochemistry of isoalloxazine, the flavin core ring"
J. Phys. Chem. A 110 2006 | 10.1021/jp065772h
Cobo, S; Molnár, G; Real, JA; Bousseksou, A
"Multilayer sequential assembly of thin films that display room-temperature spin crossover with hysteresis"
Angew. Chem.-Int. Edit. 45 2006 | 10.1002/anie.200601885
Coronado, E; Curreli, S; Giménez-Saiz, C; Gómez-García, CJ; Alberola, A
"Radical salts of bis(ethylenediseleno)tetrathiafulvalene with paramagnetic tris(oxalato)metalate anions"
Inorg. Chem. 45 2006 | 10.1021/ic061494p
Coronado, E; Galán-Mascarós, JR; Gómez-García, CJ; Murcia-Martínez, A
"Chiral molecular magnets:: Synthesis, structure, and magnetic behavior of the series [M(L-tart)] (M = MnII, FeII, CoII, NiII L-tart = (2R,3R)-(+)-tartrate)"
Chem.-Eur. J. 12 2006 | 10.1002/chem.200501351
Coronado, E; Galán-Mascarós, JR; Martí-Gastaldo, C
"Oxalate-based 2D magnets:: the series [NBu4][MIIMnIII(ox)3] (MII = Fe, Co, Ni, Zn; ox = oxalate dianion)"
J. Mater. Chem. 16 2006 | 10.1039/b602250b
Coronado, E; Galán-Mascarós, JR; Martí-Gastaldo, C
"Synthesis and characterization of a soluble bimetallic oxalate-based bidimensional magnet:: [K(18-crown-6)]3[Mn3(H2O)4{Cr(ox)3}3]"
Inorg. Chem. 45 2006 | 10.1021/ic0517570
Coronado, E; Galan-Mascaros, JR; Martí-Gastaldo, C; Martínez, AM
"Heptacoordinated MnII in oxalate-based bimetallic 2D magnets:: synthesis and characterisation of [Mn(L)6][Mn(CH3OH)MIII(ox)3]2 (MIII = Cr, Rh; ox = oxalate dianion; L = H2O, CH3OH)"
Dalton Trans. 2006 | 10.1039/b603504c
Coronado, E; Galán-Mascarós, JR; Martí-Gastaldo, C; Ribera, A
"Insertion of magnetic bimetallic oxalate complexes into layered double hydroxides"
Chem. Mater. 18 2006 | 10.1021/cm062054z
Coronado, E; Gomez-Garcia, CJ; Nuez, A; Romero, FM; Waerenborgh, JC
"Synthesis, chirality, and magnetic properties of bimetallic cyanide-bridged two-dimensional ferromagnets"
Chem. Mater. 18 2006 | 10.1021/cm0600879
Costero, AM; Colera, M; Gaviña, P; Gil, S; Ochando, LE
"Experimental evidence for the homochiral aggregation of ammonium salts in solution"
New J. Chem. 30 2006 | 10.1039/b607100g
Costero, AM; Gaviña, P; Rodríguez-Muñiz, GM; Gil, S
"N-Biphenyl thioureas as carboxylate receptors.: Effect of the ligand substituents on the geometry of the complexes"
Tetrahedron 62 2006 | 10.1016/j.tet.2006.06.058
Costes, JP; Gheorghe, R; Andruh, M; Shova, S; Clemente Juan, JM
"An original 1D Cu-Co heterometallic compound: synthesis, structure and magnetic properties"
New J. Chem. 30 2006 | 10.1039/b518029e
Cuesta, IG; Coriani, S; Lazzeretti, P; de Merás, AMJS
"From pentalene to dicyclopenta[b,g]naphthalene, or the change towards delocalized structures"
ChemPhysChem 7 2006 | 10.1002/cphc.200500327
Cuesta, IG; De Merás, AMJS; Lazzeretti, P
"Structure, magnetizability, and nuclear magnetic shielding tensors of bis-heteropentalenes.: IV.: Dihydrophospholophosphole isomers"
J. Comput. Chem. 27 2006 | 10.1002/jcc.20349
Cuesta, IG; De Merás, AS; Lazzeretti, P
"Diatropicity of tetraazanaphthalenes"
J. Comput. Chem. 27 2006 | 10.1002/jcc.20516
Cuesta, IG; Pedersen, TB; Koch, H; de Merás, AS
"Carbon nanorings:: A challenge to theoretical chemistry"
ChemPhysChem 7 2006 | 10.1002/cphc.200600362
Cuesta, IG; Sánchez-Marín, J; de Merás, AMJS
"Theoretical study on the structures and electronic spectra of TCNE2-"
ChemPhysChem 7 2006 | 10.1002/cphc.200500468
Curreli, S; Deplano, P; Faulmann, C; Mercuri, ML; Pilia, L; Serpe, A; Coronado, E; Gómez-García, CJ
"Synthesis, crystal structures and magnetic properties of mononuclear tris(croconate)ferrate(III) complexes"
Inorg. Chim. Acta 359 2006 | 10.1016/j.ica.2005.10.024
Delgado, FS; Kerbellec, N; Ruiz-Pérez, C; Cano, J; Lloret, F; Julve, M
"Malonate-containing manganese(III) complexes:: Synthesis, crystal structure, and magnetic properties of AsPh4[Mn(mal)2(H2O)2]"
Inorg. Chem. 45 2006 | 10.1021/ic0508526
Delgado, FS; Ruiz-Pérez, C; Sanchiz, J; Lloret, F; Julve, M
"Versatile supramolecular self-assembly.: Part I.: Network formation and magnetic behaviour of the alkaline salts of the bis(malonate) cuprate(II) anion"
Crystengcomm 8 2006 | 10.1039/b603374a
Delgado, FS; Ruiz-Pérez, C; Sanchiz, J; Lloret, F; Julve, M
"Versatile supramolecular self-assembly -: Part II.: Network formation and magnetic behaviour of copper(II) malonate anions in ammonium derivatives"
Crystengcomm 8 2006 | 10.1039/b604573a
Díaz, MC; Illescas, BM; Martín, N; Perepichka, IF; Bryce, MR; Levillain, E; Viruela, R; Ortí, E
"Electronic interactions in a new ?-extended tetrathiafulvalene dimer"
Chem.-Eur. J. 12 2006 | 10.1002/chem.200501001
Domingo, LR; Arnó, M; Merino, P; Tejero, T
"A DFT study of the molecular mechanisms of the nucleophilic addition of ester-derived lithium enolates and silyl ketene acetals to nitrones:: Effects of the Lewis acid catalyst"
Eur. J. Org. Chem. 2006 2006 | 10.1002/ejoc.200600105
Domingo, LR; Pérez, P; Contreras, R
"?-Strain-induced electrophilicity in small cycloalkynes:: A DFT analysis of the polar cycloaddition of cyclopentyne towards enol ethers"
Eur. J. Org. Chem. 2006 2006 | 10.1002/ejoc.200500466
Domingo, LR; Pérez-Prieto, J
"Exploring two-state reaction pathways in the photodimerization of cyclohexadiene"
ChemPhysChem 7 2006 | 10.1002/cphc.200500431
Domingo, LR; Picher, MT; Arroyo, P
"Towards an understanding of the polar Diels-Alder reactions of nitrosoalkenes with enamines: A theoretical study"
Eur. J. Org. Chem. 2006 2006 | 10.1002/ejoc.200500978
Domingo, LR; Sáez, JA; Palmucci, C; Sepúlveda-Arques, J; González-Rosende, ME
"A DFT study for the formation of imidazo[1,2-c]pyrimidines through an intramolecular Michael addition"
Tetrahedron 62 2006 | 10.1016/j.tet.2006.08.066
Escudero, C; Pérez-Prieto, J; Stiriba, SE
"Part II.: Chiral dirliodium(II) catalysts with ortho-metalated arylphosphane ligands in the enantio selective intramolecular cyclopropanation of a racemic ?-diazo ketone"
Inorg. Chim. Acta 359 2006 | 10.1016/j.ica.2005.06.057
Fabelo, O; Cañadillas-Delgado, L; Pasán, J; Ruiz-Pérez, C; Julve, M
"Influence of the presence of divalent first-row transition metal ions on the structure of sodium(I) salts of 1,2,3,4-benzenetetracarboxylic acid (H4bta)"
Crystengcomm 8 2006 | 10.1039/b516806f
Faglioni, F; Cuesta, IG; Lazzeretti, P
"Parity violation energy of biomolecules - III: RNA"
Chem. Phys. Lett. 432 2006 | 10.1016/j.cplett.2006.10.030
Faulmann, C; Dorbes, S; Real, JA; Valade, L
"Electrical conductivity and spin crossover: Towards the first achievement with a metal bis dithiolene complex"
J. Low Temp. Phys. 142 2006 | 10.1007/BF02679505
Feliz, M; Guillamón, E; Llusar, R; Vicent, C; Stiriba, SE; Pérez-Prieto, J; Barberis, M
"Unprecedented stereoselective synthesis of catalytically active chiral Mo3CuS4 clusters"
Chem.-Eur. J. 12 2006 | 10.1002/chem.200500907
Fernández-Armas, S; Mesa, JL; Pizarro, JL; Clemente-Juan, JM; Coronado, E; Arriortua, MI; Rojo, T
"Parametrization of the magnetic behavior of the triangular spin ladder chains organically templated:: (C2N2H10)[M(HPO3)F3] (MIII = Fe, Cr, and V).: Crystal structure and thermal and spectroscopic properties of the iron(III) phase"
Inorg. Chem. 45 2006 | 10.1021/ic051804o
Galet, A; Gaspar, AB; Agusti, G; Muñoz, MC; Levchenko, G; Real, JA
"Pressure effect investigations on the spin crossover systems {Fe[H2B(PZ)2]2(bipy)} and {Fe[H2B(pz)2]2(phen)}"
Eur. J. Inorg. Chem. 2006 | 10.1002/ejic.200600517
Galet, A; Gaspar, AB; Muñoz, MC; Levchenko, G; Real, JA
"Pressure effect and crystal structure reinvestigations on the spin crossover system:: [Fe(bt)2(NCS)2] (bt=2,2?-bithiazoline) polymorphs A and B"
Inorg. Chem. 45 2006 | 10.1021/ic060729u
Galet, A; Gaspar, AB; Muñoz, MC; Real, JA
"Influence of the counterion and the solvent molecules in the spin crossover system [Co(4-terpyridone)2]Xp•nH2O"
Inorg. Chem. 45 2006 | 10.1021/ic060090u
Galet, A; Muñoz, MC; Real, JA
"Coordination polymers undergoing spin crossover and reversible ligand exchange in the solid"
Chem. Commun. 2006 | 10.1039/b606434e
Galet, A; Muñoz, MC; Real, JA
"{Fe(3CNpy)2[Cu(3CNpy)(?-CN)2]2}:: a one-dimensional cyanide-based spin-crossover coordination polymer"
Inorg. Chem. 45 2006 | 10.1021/ic060247i
Gálvez, N; Sánchez, P; Domínguez-Vera, JM; Soriano-Portillo, A; Clemente-León, M; Coronado, E
"Apoferritin-encapsulated Ni and Co superparamagnetic nanoparticles"
J. Mater. Chem. 16 2006 | 10.1039/b604860a
García-Cañadas, J; Fabregat-Santiago, F; Bolink, HJ; Palomares, E; Garcia-Belmonte, G; Bisquert, J
"Determination of electron and hole energy levels in mesoporous nanocrystalline TiO2 solid-state dye solar cell"
Synth. Met. 156 2006 | 10.1016/j.synthmet.2006.06.006
García-España, E; Díaz, P; Llinares, JM; Bianchi, A
"Anion coordination chemistry in aqueous solution of polyammonium receptors"
Coord. Chem. Rev. 250 2006 | 10.1016/j.ccr.2006.05.018
García-Sáez, AJ; Coraiola, M; Serra, MD; Mingarro, I; Müller, P; Salgado, J
"Peptides corresponding to helices 5 and 6 of Bax can independently form large lipid pores"
FEBS J. 273 2006 | 10.1111/j.1742-4658.2006.05123.x
Gaspar, AB; Galet, A; Muñoz, MC; Solans, X; Real, JA
"A singular noninterpenetrating coordination polymer with the Pt3O4 structure containing naked [Na+]4 units"
Inorg. Chem. 45 2006 | 10.1021/ic061797j
Gaspar, AB; Ksenofontov, V; Reiman, S; Gütlich, P; Thompson, AL; Goeta, AE; Muñoz, MC; Real, JA
"Mossbauer investigation of the photoexcited spin states and crystal structure analysis of the spin-crossover dinuclear complex [{Fe(bt)(NCS)2)2bpym] (bt=2,2?-bithiazoline, bpym=2,2?-bipyrimidine)"
Chem.-Eur. J. 12 2006 | 10.1002/chem.200600559
Gaspar, AB; Muñoz, MC; Real, JA
"Dinuclear iron(II) spin crossover compounds:: singular molecular materials for electronics"
J. Mater. Chem. 16 2006 | 10.1039/b603488h
Gaviña, P; Tatay, S
"Synthesis of a novel ditopic ligand incorporating directly bonded 1,10-phenanthroline and 2,2?:6?,2-terpyridine units"
Tetrahedron Lett. 47 2006 | 10.1016/j.tetlet.2006.03.025
Gómez-García, CJ; Coronado, E; Curreli, S; Giménez-Saiz, C; Deplano, P; Mercuri, ML; Pilia, L; Serpe, A; Faulmann, C; Canadell, E
"A chirality-induced alpha phase and a novel molecular magnetic metal in the BEDT-TTF/tris(croconate)ferrate(III) hybrid molecular system"
Chem. Commun. 2006 | 10.1039/b610408h
González-Alvarez, A; Alfonso, I; Díaz, P; García-España, E; Gotor, V
"A highly enantioselective abiotic receptor for malate dianion in aqueous solution"
Chem. Commun. 2006 | 10.1039/b517729d
Hamdach, A; Bentama, A; Gil, S; Zaballos-García, E; Sepulveda-Arques, J; Zaragozá, RJ
"Reactivity of the bioactive aminodiol subunit:: Experimental and theoretical DFT study of the reaction of silyl protected anti-N-Boc-3-amino-3-phenyl-1,2-propanediols with NaH"
Lett. Org. Chem. 3 2006 | 10.2174/157017806777828510
Hamdach, A; El Hadrami, EA; Gil, S; Zaragozá, RJ; Zaballos-García, E; Sepúlveda-Arques, J
"Reactivity difference between diphosgene and phosgene in reaction with (2,3-anti)-3-amino-1,2-diols"
Tetrahedron 62 2006 | 10.1016/j.tet.2006.04.033
Humphrey, SM; Alberola, A; García, CJG; Wood, PT
"A new Co(II) coordination solid with mixed oxygen, carboxylate, pyridine and thiolate donors exhibiting canted antiferromagnetism with TC?68K"
Chem. Commun. 2006 | 10.1039/b600347h
Jaramillo, P; Domingo, LR; Pérez, P
"Towards an intrinsic nucleofugality scale:: The leaving group (LG) ability in CH3LG model system"
Chem. Phys. Lett. 420 2006 | 10.1016/j.cplett.2005.12.047
Junquera-Hernández, JM; Sánchez-Marín, J
"Size consistent properties from size-consistent self-consistent configuration interaction coefficients"
Theor. Chem. Acc. 116 2006 | 10.1007/s00214-006-0116-2
Lefebvre, E; Conan, F; Cosquer, N; Kerbaol, JM; Marchivie, M; Sala-Pala, J; Kubicki, MM; Vigier, E; Garcia, CJG
"Syntheses, structural characterisation and magnetic properties of Fe(II) and Mn(II) compounds with the pentacyanopropenido ligand;: structural characterisation of a substituted pyrazolo[1,5-a]pyrimidine"
New J. Chem. 30 2006 | 10.1039/b605030a
Leo, EA; Domingo, LR; Miranda, MA; Tormos, R
"Photogeneration and reactivity of 1,n-diphenyl-1,n-azabiradicals"
J. Org. Chem. 71 2006 | 10.1021/jo0601967
Lévy, B; Millié, P; Spiegelman, F; Sanchez-Marin, J; Guihéry, N
"About the scientific contribution of Jean-Paul!Malrieu"
Theor. Chem. Acc. 116 2006 | 10.1007/s00214-006-0152-y
Lipinski, MJ; Frias, JC; Fayad, ZA
"Advances in detection and characterization of atherosclerosis using contrast agents targeting the macrophage"
J. Nucl. Cardiol. 13 2006 | 10.1016/j.nuclcard.2006.07.004
Lloret, J; Bieger, K; Estevan, F; Lahuerta, P; Hirva, P; Pérez-Prieto, J; Sanaú, M
"Synthesis of dirhodium(II) complexes with several cyclometalated thienylphosphines"
Organometallics 25 2006 | 10.1021/om0605128
Lloret, J; Estevan, F; Lahuerta, P; Hirva, P; Pérez-Prieto, J; Sanaú, M
"Acid-promoted rearrangement of the metalated thienyl rings in dirhodium(II) complexes with thienyl phosphines as ligands"
Organometallics 25 2006 | 10.1021/om0601697
Lomadze, N; Schneider, HJ; Albelda, MT; García-España, E; Verdejo, B
"Dramatic selectivity differences in the association of DNA and RNA models with new ethylene- and propylene diamine derivatives and their copper complexes"
Org. Biomol. Chem. 4 2006 | 10.1039/b517386h
Lu, JY; Schauss, AB; Julve, M
"A mixed-valence Cu(I)-Cu(II) and metal-metal bond containing coordination polymer obtained from an in situ oxidation reaction route"
Inorg. Chim. Acta 359 2006 | 10.1016/j.ica.2005.12.069
Lukovic, D; Plasencia, I; Taberner, FJ; Salgado, J; Calvete, JJ; Pérez-Gil, J; Mingarro, I
"Production and characterisation of recombinant forms of human pulmonary surfactant protein C (SP-C):: Structure and surface activity"
Biochim. Biophys. Acta-Biomembr. 1758 2006 | 10.1016/j.bbamem.2006.03.005
Marrero-Ponce, Y; Torrens, F; Alvarado, YJ; Rotondo, R
"Bond-based global and local (bond, group and bond-type) quadratic indices and their applications to computer-aided molecular design. 1. QSPR studies of diverse sets of organic chemicals"
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"Stereoselectivity behavior of the AZ28 antibody catalyzed oxy-Cope rearrangement"
J. Phys. Chem. A 110 2006 | 10.1021/jp054679a
Martí, S; Moliner, V; Tuñón, I
"Improving the QM/MM description of chemical processes:: A dual level strategy to explore the potential energy surface in very large systems (vol 1, pg 1008, 2005)"
J. Chem. Theory Comput. 2 2006 | 10.1021/ct058001a
Martinez-Lillo, J; Armentano, D; De Munno, G; Lloret, F; Julve, M; Faus, J
"A two-dimensional ReIVAgI compound:: X-ray structure and magnetic properties"
Cryst. Growth Des. 6 2006 | 10.1021/cg060375h
Martínez-Lillo, J; Armentano, D; De Munno, G; Lloret, F; Julve, M; Faus, J
"Rhenium(IV) cyanate complexes:: Synthesis, crystal structures and magnetic properties of NBU4[ReBr4(OCN)(DMF)] and (NBU4)2[ReBr(OCN)2(NCO)3]"
Inorg. Chim. Acta 359 2006 | 10.1016/j.ica.2006.06.004
Martínez-Lillo, J; Armentano, D; De Munno, G; Lloret, F; Julve, M; Faus, J
"Ligand substitution in hexahalorhenate(IV) complexes:: Synthesis, crystal structures and magnetic properties of NBu4[ReX5(DMF)] (X = Cl and Br)"
Inorg. Chim. Acta 359 2006 | 10.1016/j.ica.2006.03.034
Martínez-Lillo, J; Armentano, D; De Munno, G; Wernsdorfer, W; Julve, M; Lloret, F; Faus, J
"A heterotetranuclear [NiIIReIV3] single-molecule magnet"
J. Am. Chem. Soc. 128 2006 | 10.1021/ja0643873
Merchán, M; González-Luque, R; Climent, T; Serrano-Andrés, L; Rodríuguez, E; Reguero, M; Peláez, D
"Unified model for the ultrafast decay of pyrimidine nucleobases"
J. Phys. Chem. B 110 2006 | 10.1021/jp066874a
Olaso-González, G; Merchán, M; Serrano-Andrés, L
"Ultrafast electron transfer in photosynthesis:: Reduced pheophytin and quinone interaction mediated by conical intersections"
J. Phys. Chem. B 110 2006 | 10.1021/jp063915u
Olaso-González, G; Roca-Sanjuán, D; Serrano-Andrés, L; Merchán, M
"Toward the understanding of DNA fluorescence:: The singlet excimer of cytosine"
J. Chem. Phys. 125 231102 2006 | 10.1063/1.2408411
Oliva, JM; Serrano-Andrés, L
"A computational study of the lowest singlet and triplet states of neutral and dianionic 1,2-substituted icosahedral and octahedral o-carboranes"
J. Comput. Chem. 27 2006 | 10.1002/jcc.20359
Ortiz, RP; Casado, J; Hernández, V; Navarrete, JTL; Ortí, E; Viruela, PM; Milián, B; Hotta, S; Zotti, G; Zecchin, S; Vercelli, B
"Magnetic properties of quinoidal oligothiophenes:: More than good candidates for ambipolar organic semiconductors?"
Adv. Funct. Mater. 16 2006 | 10.1002/adfm.200500404
Palomares, E; Martínez-Díaz, MV; Torres, T; Coronado, E
"A highly sensitive hybrid colorimetric and fluorometric molecular probe for cyanide sensing based on a subphthalocyanine dye"
Adv. Funct. Mater. 16 2006 | 10.1002/adfm.200500517
Pardo, E; Burguete, P; Ruiz-García, R; Julve, M; Beltrán, D; Journaux, Y; Amorós, P; Lloret, F
"Ordered mesoporous silicas as host for the incorporation and aggregation of octanuclear nickel(II) single-molecule magnets:: a bottom-up approach to new magnetic nanocomposite materials"
J. Mater. Chem. 16 2006 | 10.1039/b602838a
Pasán, J; Sanchiz, J; Ruiz-Pérez, C; Campo, J; Lloret, F; Julve, M
"Metamagnetism in hydrophobically induced carboxylate (phenylmalonate)-bridged copper(II) layers"
Chem. Commun. 2006 | 10.1039/b602144a
Pérez-Prieto, J; Galian, RE; Miranda, MA
"Diaryl ketones as photoactivators"
Mini-Rev. Org. Chem. 3 2006 | 10.2174/157019306776819226
Pérez-Prieto, J; Galian, RE; Morant-Miñana, MC
"Aromatic ketones as photocatalysts:: Combined action as triplet photosensitiser and ground state electron acceptor"
ChemPhysChem 7 2006 | 10.1002/cphc.200600328
Pérez-Prieto, J; Galian, RE; Morant-Miñana, MC; Miranda, MA
"Triplet exciplexes as energy transfer photosensitisers"
Chem. Commun. 2006 | 10.1039/b515831a
Pérez-Prieto, J; Morant-Miñana, MC; Galian, RE; Miranda, MA
"Photoreaction between benzoylthiophenes and N-BOC-tryptophan methyl ester"
Photochem. Photobiol. 82 2006 | 10.1562/2005-03-15-RA-461
Pitarch, A; Garcia-Belmonte, G; Bisquert, J; Bolink, HJ
"Impedance of space-charge-limited currents in organic light-emitting diodes with double injection and strong recombination"
J. Appl. Phys. 100 84502 2006 | 10.1063/1.2358302
Plater, MJ; Kemp, S; Coronado, E; Gómez-García, CJ; Harrington, RW; Clegg, W
"A stable oxoverdazyl free radical:: Structural and magnetic characterization"
Polyhedron 25 2006 | 10.1016/j.poly.2006.02.007
Plater, MJ; Sinclair, JP; Kemp, S; Gelbrich, T; Hursthouse, MB; Gómez-García, CJ
"New tetrahydro-1,2,4,5-tetrazinan-3-ones and oxoverdazyl free radicals"
J. Chem. Res.-S 2006
Polo, V; Domingo, LR; Andrés, J
"Better understanding of the ring-cleavage process of cyanocyclopropyl anionic derivatives.: A theoretical study based on the electron localization function"
J. Org. Chem. 71 2006 | 10.1021/jo052117h
Ramírez-Ramírez, VM; Serrano-Andrés, L; Nebot-Gil, I
"Is the CH2OH+O2 ? CH2=O+HO2 reaction barrierless?: an ab initio study on the reaction mechanism"
Theor. Chem. Acc. 116 2006 | 10.1007/s00214-006-0109-1
Raptopoulou, CP; Boudalis, AK; Sanakis, Y; Psycharis, V; Clemente-Juan, JM; Fardis, M; Diamantopoulos, G; Papavassillou, G
"Hexanuclear iron(III) salicylaldoximato complexes presenting the [Fe6(?3-O)2(?2-OR)2]12+ core:: Syntheses, crystal structures, and spectroscopic and magnetic characterization"
Inorg. Chem. 45 2006 | 10.1021/ic051945q
Reviriego, F; Rodríguez-Franco, MI; Navarro, P; García-España, E; Liu-González, M; Verdejo, B; Domènech, A
"The sodium salt of diethyl 1H-pyrazole-3,5-dicarboxylate as an efficient amphiphilic receptor for dopamine and amphetamines.: Crystal structure and solution studies"
J. Am. Chem. Soc. 128 2006 | 10.1021/ja064657h
Roca-Sanjuán, D; Rubio, M; Merchán, M; Serrano-Andrés, L
"Ab initio determination of the ionization potentials of DNA and RNA nucleobases"
J. Chem. Phys. 125 84302 2006 | 10.1063/1.2336217
Rodríguez-Diéguez, A; Kivekas, R; Sillanpaa, R; Cano, J; Lloret, F; Mckee, V; Stoeckli-Evans, H; Colacio, E
"Structural and magnetic diversity in cyano-bridged bi- and trimetallic complexes assembled from cyanometalates and [M(rac-CTH)]n+ building blocks (CTH = d, l-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)"
Inorg. Chem. 45 2006 | 10.1021/ic061187j
Rubio, M; Roca-Sanjuán, D; Merchán, M; Serrano-Andrés, L
"Determination of the lowest-energy oxidation site in nucleotides:: 2?-Deoxythymidine 5?-monophosphate anion"
J. Phys. Chem. B 110 2006 | 10.1021/jp0618429
Rubio-Pons, O; Serrano-Andrés, L; Burget, D; Jacques, P
"A butterfly like motion as a clue to the photophysics of thioxanthone"
J. Photochem. Photobiol. A-Chem. 179 2006 | 10.1016/j.jphotochem.2005.08.033
Ruiz-Pernía, JJ; Silla, E; Tuñón, I; Martí, S
"Hybrid quantum mechanics/molecular mechanics simulations with two-dimensional interpolated corrections:: Application to enzymatic processes"
J. Phys. Chem. B 110 2006 | 10.1021/jp063520a
Sánchez-Royo, JF; Galán-Mascarós, JR; Avila, J; Curreli, S; Murcia-Martínez, A; Giménez-Saiz, C; Alberola, A; Wallis, J; Asensio, MC; Coronado, E
"Electron correlation effects in quasi-two-dimensional molecular magnetic conductors studied by photoemission"
J. Phys. Chem. Solids 67 2006 | 10.1016/j.jpcs.2005.10.046
Seredyuk, M; Gaspar, AB; Ksenofontov, V; Reiman, S; Galyametdinov, Y; Haase, W; Rentschler, E; Gütlich, P
"Room temperature operational thermochromic liquid crystals"
Chem. Mater. 18 2006 | 10.1021/cm052632w
Serrano-Andrés, L
"DNA nucleobases photo reactivity:: The role of quantum chemistry in modern photochemistry"
7 2006
Serrano-Andrés, L; Merchán, M
"Theoretical CASPT2 study of the excited state double proton transfer reaction in the 7-azaindole dimer"
Chem. Phys. Lett. 418 2006 | 10.1016/j.cplett.2005.11.041
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"A three-state model for the photophysics of adenine"
Chem.-Eur. J. 12 2006 | 10.1002/chem.200501515
Serrano-Andres, L; Merchán, M; Borin, AC
"Adenine and 2-aminopurine:: Paradigms of modern theoretical photochemistry"
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"Photochemical window mechanism for controlled atom release in carborane endohedral boxes:: Theoretical evidence"
Chem. Phys. Lett. 432 2006 | 10.1016/j.cplett.2006.10.077
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"A theoretical insight into the photophysics of psoralen"
J. Chem. Phys. 124 124502 2006 | 10.1063/1.2178794
Shen, Z; Chen, Y; Frey, H; Stiriba, SE
"Complex of hyperbranched polyethylenimine with cuprous halide as recoverable homogeneous catalyst for the atom transfer radical polymerization of methyl methacrylate"
Macromolecules 39 2006 | 10.1021/ma052418t
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"Influence of metal ions on the structures of Keggin polyoxometalate-based solids:: Hydrothermal syntheses, crystal structures and magnetic properties"
J. Solid State Chem. 179 2006 | 10.1016/j.jssc.2005.09.051
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"Optical mercury sensing using a benzothiazolium hemicyanine dye"
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"Growth of ZnO crystals by vapour transport:: Some ways to act on physical properties"
Cryst. Res. Technol. 41 2006 | 10.1002/crat.200510662
Toma, LM; Lescouëzec, R; Pasán, J; Ruiz-Pérez, C; Vaissermann, J; Cano, J; Carrasco, R; Wernsdorfer, W; Lloret, F; Julve, M
"[Fe(bpym)(CN)4]-:: A new building block for designing single-chain magnets"
J. Am. Chem. Soc. 128 2006 | 10.1021/ja058030v
Toma, LM; Toma, LD; Delgado, FS; Ruiz-Pérez, C; Sletten, J; Cano, J; Clemente-Juan, JM; Lloret, F; Julve, M
"Trans-dicyanobis(acetylacetonato)ruthenate(III) as a precursor to build novel cyanide-bridged RuIII-MII bimetallic compounds [M = Co and Ni]"
Coord. Chem. Rev. 250 2006 | 10.1016/j.ccr.2005.11.018
Torrens, F; Castellano, G
"Periodic classification of local anaesthetics (procaine analogues)"
Int. J. Mol. Sci. 7 2006 | 10.3390/i8010012
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"Compatibility between polystyrene copolymers and polymers in solution via hydrogen bonding"
Eur. Polym. J. 42 2006 | 10.1016/j.eurpolymj.2006.04.020
Triki, S; Sala-Pala, J; Thétiot, F; Gómez-García, CJ; Daran, JC
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Eur. J. Inorg. Chem. 2006 | 10.1002/ejic.200500626
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"Supramolecular copper(II) dimers resulted from hydrogen bond interactions: Synthesis, crystal structures and magnetic properties"
Rev. Roum. Chim. 51 2006
Velasco, AM; Pitarch-Ruiz, J; de Merás, AMJS; Sánchez-Marín, J; Martin, I
"Lower Rydberg series of methane:: A combined coupled cluster linear response and molecular quantum defect orbital calculation"
J. Chem. Phys. 124 124313 2006 | 10.1063/1.2179069
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"CO2 fixation by CU2+ and Zn2+ complexes of a terpyridinophane aza receptor.: Crystal structures of Cu2+ complexes, pH-metric, spectroscopic, and electrochemical studies"
Inorg. Chem. 45 2006 | 10.1021/ic060278d
Wang, S; Day, P; Toma, LM; Julve, M; Wallis, JD
"TTF charge transfer salts containing cyanometallate anions [M(phen)(CN)4]- (M = Cr or Fe; phen=1,10-phenanthroline)"
Inorg. Chim. Acta 359 2006 | 10.1016/j.ica.2006.03.015
Zotti, G; Zecchin, S; Vercelli, B; Berlin, A; Casado, J; Hernández, V; Ortiz, RP; Navarrete, JTL; Ortí, E; Viruela, PM; Milián, B
"Magnetic and conductive properties of quinoidal oligothiophenes"
Chem. Mater. 18 2006 | 10.1021/cm0521931
Total: 146
With the support of:
Ayuda CEX2019-000919-M financiada por: