Publications

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Abarca, B; Aucejo, R; Ballesteros, R; Chadlaoui, M; García-España, E; de Arellano, CR
"X-Ray characterization of 3-methyl-6,8-di(2-pyridyl)-[1,2,3]triazolo[5?,1?:6,1]pyrido[2,3-d] pyrimidine"
Arkivoc 2005 | 10.3998/ark.5550190.0006.e08
Alberola, A; Coronado, E; Giménez-Saiz, C; Gómez-García, CJ; Romero, FM; Tarazón, A
"Hybrid magnetic materials based on nitroxide free radicals and extended oxalato-bridged bimetallic networks"
Eur. J. Inorg. Chem. 2005 | 10.1002/ejic.200400695
Armentano, D; De Munno, G; Lloret, F; Julve, M
"Bis and tris(oxalato) ferrate(III) complexes as precursors of polynuclear compounds"
Crystengcomm 7 2005 | 10.1039/b417251e
Armentano, D; De Munno, G; Mastropietro, TF; Julve, M; Llore, F
"Intermolecular proton transfer in solid phase: A rare example of crystal-to-crystal transformation from hydroxo- to oxo-bridged iron(III) molecule-based magnet"
J. Am. Chem. Soc. 127 2005 | 10.1021/ja051203w
Arnó, M; Zaragozá, RJ; Domingo, LR
"Lewis acid induced [2+2] cycloadditions of silyl enol ethers with ?,?-unsaturated esters:: A DFT analysis"
Eur. J. Org. Chem. 2005 2005 | 10.1002/ejoc.200500188
Arnó, M; Zaragozá, RJ; Domingo, LR
"Density functional theory study of the 5-pyrrolidin-2-yltetrazole-catalyzed aldol reaction"
Tetrahedron-Asymmetry 16 2005 | 10.1016/j.tetasy.2005.06.034
Arroyo, P; Picher, MT; Domingo, LR; Terrier, F
"A DFT study of the polar Diels-Alder reaction between 4-aza-6-nitrobenzofuroxan and cyclopentadiene"
Tetrahedron 61 2005 | 10.1016/j.tet.2005.05.080
Aucejo, R; Alarcón, J; Soriano, C; Guillem, MC; García-España, E; Torres, F
"New sensing devices part 1:: indole-containing polyamines supported in nanosized boehmite particles"
J. Mater. Chem. 15 2005 | 10.1039/b501612f
Azzouzi, S; El Messaoudi, M; Esseffar, M; Jalal, R; Cano, MH; Apreda-Rojas, MDC; Domingo, LR
"High chemoselectivity of C=S dipolarophile in 1,3-dipolar cycloaddition of nitrilimines and 1,1,4-triazepin-5-one derivatives: experimental, theoretical and X-ray study"
J. Phys. Org. Chem. 18 2005 | 10.1002/poc.892
Bassil, BS; Kortz, U; Tigan, AS; Clemente-Juan, JM; Keita, B; de Oliveira, P; Nadjo, L
"Cobalt-containing silicotungstate sandwich dimer [{Co3(B-?-SiW9O33(OH))(B-?-SiW8O29(OH)2)}2]22-"
Inorg. Chem. 44 2005 | 10.1021/ic0515554
Blundell, SJ; Lancaster, T; Brooks, ML; Pratt, FL; Coronado, E; Galán-Mascarós, JR; Manson, JL; Cadiou, C; Winpenny, RE
"Brief encounter at the molecular level:: what muons tell us about molecule-based magnets"
Synth. Met. 152 2005 | 10.1016/j.synthmet.2005.07.200
Bolink, HJ; Cappelli, L; Coronado, E; Gaviña, P
"Observation of electroluminescence at room temperature from a ruthenium(II) bis-terpyridine complex and its use for preparing light-emitting electrochemical cells"
Inorg. Chem. 44 2005 | 10.1021/ic0507058
Bolink, HJ; Coronado, E; Forment-Alicia, A; Gómez-García, CJ
"Conductive hybrid films of polyarylamine electrochemically oxidized with the molecular nanomagnet [Mn12O12(H2O)4-(C6F5COO)16]"
Adv. Mater. 17 2005 | 10.1002/adma.200401500
Bonhommeau, S; Molnár, G; Galet, A; Zwick, A; Real, JA; McGarvey, JJ; Bousseksou, A
"One shot laser pulse induced reversible spin transition in the spin-crossover complex [Fe(C4H4N2]{Pt(CN)4}] at room temperature"
Angew. Chem.-Int. Edit. 44 2005 | 10.1002/anie.200500717
Boronat, M; Corma, A; Renz, M; Sastre, G; Viruela, PM
"A multisite molecular mechanism for Baeyer-Villiger oxidations on solid catalysts using environmentally friendly H2O2 as oxidant"
Chem.-Eur. J. 11 2005 | 10.1002/chem.200500184
Calatayud, ML; Sletten, J; Julve, M; Castro, I
"Synthesis, spectroscopic and structural characterization of [Cu(phen)(C5O5)(H2O)]•H2O, [Ni(terpy)(C5O5)(H2O)]•H2O and [Ni(terpy)2](NO3)2•0.5H2O"
J. Mol. Struct. 741 2005 | 10.1016/j.molstruc.2005.01.069
Cañadillas-Delgado, L; Fabelo, O; Delgado, FS; Ruiz-Pérez, C; Lloret, F; Julve, M
"(4,4)-Metal-Organic Framework Templated by 1,2,3,4-Butanetetracarboxylic Acid"
Acta Crystallogr. Sect. A 61 2005 | 10.1107/S0108767305084734
Cangussu, D; Stumpf, HO; Adams, H; Thomas, JA; Lloret, F; Julve, M
"Oxalate, squarate and croconate complexes with bis(2-pyrimidylcarbonyl)amidatecopper(II): synthesis, crystal structures and magnetic properties"
Inorg. Chim. Acta 358 2005 | 10.1016/j.ica.2004.11.046
Casado, J; Zgierski, MZ; Hicks, RG; Myles, DJT; Viruela, PM; Ortí, E; Delgado, MCR; Hernández, V; Navarrete, JTL
"Mesitylthio-oligothiophenes in various redox states.: Molecular and electronic views as offered by spectroscopy and theory"
J. Phys. Chem. A 109 2005 | 10.1021/jp052778i
Castillo, R; Andrés, J; Domingo, LR
"Lewis acid mediated domino reaction between 2-cyclohexenone and methyl azide -: A DFT study"
Eur. J. Org. Chem. 2005 2005 | 10.1002/ejoc.200500223
Cembran, A; González-Luque, R; Altoé, P; Merchán, M; Bernardi, F; Olivucci, M; Garavelli, M
"Structure, spectroscopy, and spectral tuning of the gas-phase retinal chromophore:: The ?-ionone handle and alkyl group effect"
J. Phys. Chem. A 109 2005 | 10.1021/jp052068c
Chadim, M; Díaz, P; García-España, E; Hodacová, J; Latorre, J; Liu-González, M; Luis, SV; Llinares, JM; Závada, J
"Role of anions on the crystal structures of copper(II) and zinc(II) complexes of a tunable butterfly cyclophane macrocycle"
Inorg. Chem. 44 2005 | 10.1021/ic051099j
Chen, Y; Shen, Z; Frey, H; Pérez-Prieto, J; Stiriba, SE
"Synergistic assembly of hyperbranched polyethylenimine and fatty acids leading to unusual supramolecular nanocapsules"
Chem. Commun. 2005 | 10.1039/b414046j
Chen, Y; Shen, Z; Pastor-Pérez, L; Frey, H; Stiriba, SE
"Role of topology and amphiphilicity for guest encapsulation in functionalized hyperbranched poly(ethylenimine)s"
Macromolecules 38 2005 | 10.1021/ma047837p
Clemente-Juan, JM; Coronado, E; Gaita-Ariño, A; Giménez-Saiz, C; Gudel, HU; Sieber, A; Bircher, R; Mutka, H
"Magnetic polyoxometalates:: Anisotropic exchange interactions in the CoII3 moiety of [(NaOH2)Co3(H2O)(P2W15O56)2]17-"
Inorg. Chem. 44 2005 | 10.1021/ic048552w
Clemente-León, M; Coronado, E; Gómez-García, CL; Mingotaud, C; Ravaine, S; Romualdo-Torres, G; Delhaès, P
"Polyoxometalate monolayers in Langmuir-Blodgett films"
Chem.-Eur. J. 11 2005 | 10.1002/chem.200401063
Clemente-León, M; Coronado, E; Soriano-Portillo, A; Mingotaud, C; Dominguez-Vera, JM
"Langmuir-Blodgett films based on inorganic molecular complexes with magnetic or optical properties"
Adv. Colloid Interface Sci. 116 2005 | 10.1016/j.cis.2005.03.005
Colera, M; Costero, AM; Gaviña, P; Gil, S
"Synthesis of chiral 18-crown-6 ethers containing lipophilic chains and their enantiomeric recognition of chiral ammonium picrates"
Tetrahedron-Asymmetry 16 2005 | 10.1016/j.tetasy.2005.06.039
Contreras, R; Andrés, J; Domingo, LR; Castillo, R; Pérez, P
"Effect of electron-withdrawing substituents on the electrophilicity of carbonyl carbons"
Tetrahedron 61 2005 | 10.1016/j.tet.2004.10.085
Coronado, E; Curreli, S; Giménez-Saiz, C; Gómez-García, CJ
"A novel paramagnetic molecular superconductor formed by bis(ethylenedithio) tetrathiafulvalene, tris(oxalato) ferrate(III) anions and bromobenzene as guest molecule:: ET4[(H3O) Fe(C2O4)3]•C6H5Br"
J. Mater. Chem. 15 2005 | 10.1039/b500107m
Coronado, E; Curreli, S; Giménez-Saiz, C; Gómez-García, CJ
"New magnetic conductors and superconductors based on BEDT-TTF and BEDS-TTF"
Synth. Met. 154 2005 | 10.1016/j.synthmet.2005.07.061
Coronado, E; Curreli, S; Giménez-Saiz, C; Gómez-García, CJ; Roth, J
"A new BEDT-TTF salt and polypyrrole films containing the chiral polyoxometalate [H4Co2Mo10O38]6-"
Synth. Met. 154 2005 | 10.1016/j.synthmet.2005.07.063
Coronado, E; Forment-Aliaga, A; Romero, FM; Corradini, V; Biagi, R; De Renzi, V; Gambardella, A; del Pennino, U
"Isolated Mn12 single-molecule magnets grafted on gold surfaces via electrostatic interactions"
Inorg. Chem. 44 2005 | 10.1021/ic0508021
Coronado, E; Galán-Mascarós, JR
"Hybrid molecular conductors"
J. Mater. Chem. 15 2005 | 10.1039/b415940n
Coronado, E; Galán-Mascarós, JR; Gómez-García, CJ; Martí-Gastaldo, C
"Synthesis, structure, and magnetic properties of the oxalate-based bimetallic ferromagnetic chain {[K(18-crown-6)][Mn(H2O)2Cr(ox)3]}? (18-crown-6=C12H24O6, ox = C2O42-)"
Inorg. Chem. 44 2005 | 10.1021/ic050258w
Coronado, E; Galán-Mascarós, JR; Gómez-García, CJ; Martínez-Ferrero, E; Almeida, M; Waerenborgh, JC
"Oxalate-based 3D chiral magnets:: The series [ZII(bpy)3[ClO4][MIIFeIII(ox)3] (ZII = Fe, Ru; MII = Mn, Fe; bpy=2,2'-bipyridine; ox = oxalate dianion)"
Eur. J. Inorg. Chem. 2005 | 10.1002/ejic.200400977
Coronado, E; Galán-Mascaros, JR; Martí-Gastaldo, C; Palomares, E; Durrant, JR; Vilar, R; Gratzel, M; Nazeeruddin, MK
"Reversible colorimetric probes for mercury sensing"
J. Am. Chem. Soc. 127 2005 | 10.1021/ja0517724
Coronado, E; Giménez-López, MC; Levchenko, G; Romero, FM; García-Baonza, V; Milner, A; Paz-Pasternak, M
"Pressure-tuning of magnetism and linkage isomerism in iron(II) hexacyanochromate"
J. Am. Chem. Soc. 127 2005 | 10.1021/ja043166z
Coronado, E; Giménez-Saiz, C; Gómez-García, CJ
"Recent advances in polyoxometalate-containing molecular conductors"
Coord. Chem. Rev. 249 2005 | 10.1016/j.ccr.2005.02.017
Coronado, E; Palomares, E
"Hybrid molecular materials for optoelectronic devices"
J. Mater. Chem. 15 2005 | 10.1039/b507453n
Costes, JP; Shova, S; Clemente Juan, JM; Suet, N
"The first example of a hetero-tetranuclear [(VO)Gd]2 complex:: synthesis, crystal structure and magnetic properties of [VOLGd(hfa)2CH3OH]2•2CH3OH•2(CH3)2CO"
Dalton Trans. 2005 | 10.1039/b506102d
Cotton, FA; Murillo, CA; Stiriba, SE; Wang, XP; Yu, RM
"Chiral organometallic triangles with Rh-Rh bonds.: 2.: Compounds prepared from enantiopure cis-Rh2(C6H4PPh2)2(OAc)2(HOAc)2 and their catalytic potentials"
Inorg. Chem. 44 2005 | 10.1021/ic051282c
Cuesta, IG; Jartín, RS; De Merás, A; Lazzeretti, P
"Current density maps, magnetizability, and nuclear magnetic shielding tensors of bis-heteropentalenes.: III.: Thieno-thiophene isomers"
Mol. Phys. 103 2005 | 10.1080/00268970512331340574
Cuesta, IG; Ligabue, A; de Merás, AS; Lazzeretti, P
"The ring-current model of the paratropic pentalene molecule"
Chem. Phys. Lett. 401 2005 | 10.1016/j.cplett.2004.11.058
Day, P; Coronado, E
"Molecular Materials Combining Magnetic and Conducting Properties"
2005
Delgado, FS; Sanchiz, J; Ruiz-Pérez, C; Lloret, F; Julve, M
"Alkali-Templated Malonate Copper(II) Complexes"
Acta Crystallogr. Sect. A 61 2005 | 10.1107/S0108767305084746
Domingo, LR
"Theoretical studies on domino cycloaddition reactions"
Mini-Rev. Org. Chem. 2 2005 | 10.2174/1570193052774063
Domingo, LR; Pérez, P; Contreras, R
"A DFT analysis of the strain-induced regioselective[2+2]cycloaddition of benzyne possessing fused four-membered ring"
Lett. Org. Chem. 2 2005 | 10.2174/1570178053399958
Dorbes, S; Valade, L; Real, JA; Faulmann, C
"[Fe(sal2-trien)][Ni(dmit)2]:: towards switchable spin crossover molecular conductors"
Chem. Commun. 2005 | 10.1039/b412182a
Fabelo, O; Cañadillas-Delgado, L; Delgado, FS; Laz, M; Hernádez-Molina, M; Ruiz-Pérez, C; Lloret, F; Julve, M
"Crystal Packing in Co(II) Pyromellitate Complexes tuning the Water Aggregation"
Acta Crystallogr. Sect. A 61 2005 | 10.1107/S0108767305084758
Fabelo, O; Cañadillas-Delgado, L; Delgado, FS; Lorenzo-Luis, P; Laz, MM; Julve, M; Ruiz-Pérez, C
"Hydrogen bond-directed frameworks based on 1,2,4,5-benzene-tetracarboxylate"
Cryst. Growth Des. 5 2005 | 10.1021/cg049625p
Faulmann, C; Dorbes, S; de Bonneval, WG; Molnár, G; Bousseksou, A; Gomez-Garcia, CJ; Coronado, E; Valade, L
"Towards molecular conductors with a spin-crossover phenomenon:: Crystal structures, magnetic properties and Mossbauer spectra of [Fe(salten)Mepepy][M(dmit)2] complexes"
Eur. J. Inorg. Chem. 2005 | 10.1002/ejic.200500125
Fornés, V; García, H; Gómez-García, CJ; Peris, E
"Preparation and conductivity of PEDOT encapsulated inside faujasites"
Chem. Phys. Lett. 415 2005 | 10.1016/j.cplett.2005.09.013
Galet, A; Gaspar, AB; Munoz, MC; Bukin, GV; Levchenko, G; Real, JA
"Tunable bistability in a three-dimensional spin-crossover sensory- and memory-functional material"
Adv. Mater. 17 2005 | 10.1002/adma.200501122
Galet, A; Muñoz, MC; Agusti, G; Martínez, V; Gaspar, AB; Real, JA
"Synthesis and X-ray single crystal structure of two new copper complexes with the redox active ligand 1,10-phenanthroline-5,6-dione"
Z. Anorg. Allg. Chem. 631 2005 | 10.1002/zaac.200570021
Galet, A; Muñoz, MC; Gaspar, AB; Real, JA
"Architectural isomerism in the three-dimensional polymeric spin crossover system {Fe(pmd)2[Ag(CN)2]2}:: Synthesis, structure, magnetic properties, and calorimetric studies"
Inorg. Chem. 44 2005 | 10.1021/ic0509074
Galian, RE; Pastor-Pérez, L; Miranda, MA; Pérez-Prieto, J
"Intramolecular electron transfer between tyrosine and tryptophan photosensitized by a chiral ?,?* aromatic ketone"
Chem.-Eur. J. 11 2005 | 10.1002/chem.200401118
Gaspar, AB; Agustí, G; Martínez, V; Muñoz, MC; Levchenko, G; Real, JA
"Spin crossover behaviour in the iron(II)-2,2-dipyridilamine system:: Synthesis, X-ray structure and magnetic"
Inorg. Chim. Acta 358 2005 | 10.1016/j.ica.2005.06.022
Giménez-López, MC; Clemente-León, M; Coronado, E; Romero, FM; Shova, S; Tuchagues, JP
"Structural transformations and magnetic effects induced by solvent exchange in the spin crossover complex [Fe(bpp)2][Cr(bpy)(ox)2]2"
Eur. J. Inorg. Chem. 2005 | 10.1002/ejic.200500233
Gomes, DCDC; Stumpf, HO; Lloret, F; Julve, M; González, V; Adams, H; Thomas, JA
"Copper(II)-assisted hydrolysis of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (tpymt):: syntheses, crystal structures and magnetic properties of [Cu(bpcam)(H2O)2]ClO4 • 3H2O, [Cu(bpcam)(H2O)2] [Cu(bpcam)(H2O)(SO4)] • 2H2O and [Cu2(bpcaM)2 (H2O)2(SO4)] • H2O[bpcam = bis(2-pyrimidylcarbonyl)amidate]"
Inorg. Chim. Acta 358 2005 | 10.1016/j.ica.2004.10.038
González, R; Romero, F; Luneau, D; Armentano, D; De Munno, G; Kremer, C; Lloret, F; Julve, M; Faus, J
"Hexachlororhenate(IV) salts of organic radical cations"
Inorg. Chim. Acta 358 2005 | 10.1016/j.ica.2005.06.066
Gorb, L; Asensio, A; Tuñón, I; Ruiz-López, MF
"The mechanism of formamide hydrolysis in water from ab initio calculations and simulations"
Chem.-Eur. J. 11 2005 | 10.1002/chem.200500346
Hirva, P; Lahuerta, P; Pérez-Prieto, J
"Structural and electronic trends in ortho-metalated dirhodium(II) complexes"
Theor. Chem. Acc. 113 2005 | 10.1007/s00214-004-0611-2
Hodacová, J; Chadim, M; Závada, J; Aguilar, J; García-España, E; Luis, SV; Miravet, JF
"Shape-complementarity in the recognition of tricarboxylic acids by a [3+3] polyazacyclophane receptor"
J. Org. Chem. 70 2005 | 10.1021/jo048000v
Izquierdo, MA; Domingo, LR; Miranda, MA
"Theoretical calculations on the cycloreversion of oxetane radical cations"
J. Phys. Chem. A 109 2005 | 10.1021/jp045832o
Junquera-Hernández, JM; Pitarch-Ruiz, J; Sánchez-Marín, J; Evangelisti, S; Maynau, D
"Multistate active spaces from local CAS-SCF molecular orbitals:: The photodissociation of HFCO as an example"
J. Comput. Chem. 26 2005 | 10.1002/jcc.20262
Le Gall, B; Conan, F; Cosquer, N; Kerbaol, JM; Sala-Pala, J; Kubicki, MM; Vigier, E; Gomez-Garcia, CJ; Molinié, P
"Organocyanide coordination chemistry:: Syntheses, structural characterisations and ma netic properties of copper(II) complexes with a di-imine/pyridine ligand"
Inorg. Chim. Acta 358 2005 | 10.1016/j.ica.2005.02.011
Leo, EA; Tormos, R; Monti, S; Domingo, LR; Miranda, MA
"Intramolecular NH/? complexes of 2-allylaniline derivatives in the ground and excited states"
J. Phys. Chem. A 109 2005 | 10.1021/jp046031o
Lescouëzec, R; Toma, LM; Vaissermann, J; Verdaguer, M; Delgado, FS; Ruiz-Pérez, C; Lloret, F; Julve, M
"Design of single chain magnets through cyanide-bearing six-coordinate complexes"
Coord. Chem. Rev. 249 2005 | 10.1016/j.ccr.2005.09.017
Llusar, R; Triguero, S; Uriel, S; Vicent, C; Coronado, E; Gomez-Garcia, CJ
"Synthesis, crystal structure, and properties of multicomponent bis(ethylenedithio)tetrathlafulvalene charge-transfer salts of the [Mo3S7Br6]2- cluster"
Inorg. Chem. 44 2005 | 10.1021/ic0488379
Marinescu, G; Andruh, M; Julve, M; Lloret, F; Llusar, R; Uriel, S; Vaissermann, J
"Heteropolymetallic supramolecular solid-state architectures constructed from [Cr(AA)(C2O4)2]- tectons, and sustained by coordinative, hydrogen bond and ?-? stacking interactions (AA=2,2?-Bipyridine; 1,10-phenanthroline)"
Cryst. Growth Des. 5 2005 | 10.1021/cg049944g
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"
J. Chem. Theory Comput. 1 2005 | 10.1021/ct0501396
Merchán, M; Serrano-Andrés, L
"Ab Initio Methods for Excited States"
16 2005
Merchán, M; Serrano-Andrés, L; Robb, MA; Blancafort, L
"Triplet-state formation along the ultrafast decay of excited singlet cytosine"
J. Am. Chem. Soc. 127 2005 | 10.1021/ja044371h
Milián, B; Pou-Amérigo, R; Merchán, M; Ortí, E
"Theoretical study of the electronic excited states of tetracyanoethylene and its radical anion"
ChemPhysChem 6 2005 | 10.1002/cphc.200400464
Moussa, NO; Molnár, G; Bonhommeau, S; Zwick, A; Mouri, S; Tanaka, K; Real, JA; Bousseksou, A
"Selective photoswitching of the binuclear spin crossover compound {[Fe(bt)(NCS)2]2(bpm)} into two distinct macroscopic phases -: art. no. 107205"
Phys. Rev. Lett. 94 107205 2005 | 10.1103/PhysRevLett.94.107205
Niel, V; Thompson, AL; Goeta, AE; Enachescu, C; Hauser, A; Galet, A; Muñoz, MC; Real, JA
"Thermal- and photoinduced spin-state switching in an unprecedented three-dimensional bimetallic coordination polymer"
Chem.-Eur. J. 11 2005 | 10.1002/chem.200400930
Ochando-Pardo, M; Nebot-Gil, I; González-Lafont, A; Lluch, JM
"Enthalpies of formation of isoprene's major oxidation byproducts"
Chem. Phys. Lett. 409 2005 | 10.1016/j.cplett.2005.04.105
Ochando-Pardo, M; Nebot-Gil, I; González-Lafont, A; Lluch, JM
"Pressure dependence in the methyl vinyl ketone plus OH and methacrolein plus OH oxidation reactions:: An electronic structure study"
ChemPhysChem 6 2005 | 10.1002/cphc.200500115
Oliva, JM; Azenha, EMDG; Burrows, HD; Coimbra, R; de Melo, JSS; Canle, ML; Fernández, MI; Santaballa, JA; Serrano-Andrés, L
"On the low-lying excited states of sym-triazine-based herbicides"
ChemPhysChem 6 2005 | 10.1002/cphc.200400349
Ortega-Villar, N; Thompson, AL; Muñoz, MC; Ugalde-Saldívar, VM; Goeta, AE; Moreno-Esparza, R; Real, JA
"Solid- and solution-state studies of the novel ?-dicyanamide-bridged dinuclear spin-crossover system {[(Fe(bztpen)]2[?-N(CN)2]}(PF6)3•nH2O"
Chem.-Eur. J. 11 2005 | 10.1002/chem.200500171
Ortí, E; Viruela, PM; Viruela, R; Effenberger, F; Hernández, V; Navarrete, JTL
"Raman and theoretical study of the solvent effects on the sizable intramolecular charge transfer in the push-pull 5-(dimethylamino)-5?-nitro-2,2?-bithiophene"
J. Phys. Chem. A 109 2005 | 10.1021/jp052137n
Ottenwaelder, X; Aukauloo, A; Journaux, Y; Carrasco, R; Cano, J; Cervera, B; Castro, I; Curreli, S; Muñoz, MC; Roselló, AL; Soto, B; Ruiz-García, R
"High-valent nickel oxamides.: Part 1.: Synthesis, structure, spectroscopy and redox chemistry of square-planar nickel(II) complexes with tetradentate o-phenylenedioxamidates and related ligands"
Dalton Trans. 2005 | 10.1039/b502478a
Ouahab, L; Setifi, F; Golhen, S; Imakubo, T; Lescouëzec, R; Lloret, F; Julve, M; Swietlik, R
"Charge transfer salts containing a paramagnetic cyano-complex and iodine substituted organic donor involving -: I(donor) •••N(anion)-interactions"
C. R. Chim. 8 2005 | 10.1016/j.crci.2004.11.009
Palii, AV; Tsukerblat, BS; Clemente-Juan, JM; Coronado, E
"Isotropic magnetic exchange between anisotropic Yb(III) ions. study of CS3Yb2Cl9 and Cs3Yb2Br9 crystals"
Inorg. Chem. 44 2005 | 10.1021/ic0482382
Pasán, J; Sanchiz, J; Ruiz-Pérez, C; Lloret, F; Julve, M
"Influence of the Substituent in the Crystal Packing of Copper(II)-malonates"
Acta Crystallogr. Sect. A 61 2005 | 10.1107/S0108767305097072
Pasán, J; Sanchiz, J; Ruiz-Pérez, C; Lloret, F; Julve, M
"Polymeric networks of copper(II) phenylmalonate with heteroaromatic N-donor ligands:: Synthesis, crystal structure, and magnetic properties"
Inorg. Chem. 44 2005 | 10.1021/ic0503986
Pérez-Prieto, J; Galian, RE; Burgos, PO; Miñana, MDM; Miranda, MA; López-Ortiz, F
"Influence of substitution at the benzylic position on the behavior of stereoisomeric phosphorus compounds as precursors of stabilized carbon-centered radicals"
Org. Lett. 7 2005 | 10.1021/ol051254y
Pérez-Prieto, J; Galian, RE; Morant-Miñana, MC; Miranda, MA
"Stereodifferentiation in the formation and decay of the encounter complex in bimolecular electron transfer with photoactivated acceptors"
Chem. Commun. 2005 | 10.1039/b500697j
Pérez-Prieto, J; Pérez, LP; González-Béjar, M; Miranda, MA; Stiriba, SE
"Pyrene-benzoylthiophene bichromophores as selective triplet photosensitizers"
Chem. Commun. 2005 | 10.1039/b510880b
Pina, J; de Melo, JS; Pina, F; Lodeiro, C; Lima, JC; Parola, AJ; Soriano, C; Clares, MP; Albelda, MT; Aucejo, R; García-España, E
"Spectroscopy and coordination chemistry bisnaphthalene-bisphenanthroline ligand of a new displaying a sensing ability for metal cations"
Inorg. Chem. 44 2005 | 10.1021/ic050733q
Pitarch-Ruiz, J; Evangelisti, S; Maynau, D
"Does a sodium atom bind to C60?"
J. Chem. Theory Comput. 1 2005 | 10.1021/ct050035v
Polo, V; Domingo, LR; Andrés, J
"Toward an understanding of the catalytic role of hydrogen-bond donor solvents in the hetero-Diels-Alder reaction between acetone and butadiene derivative"
J. Phys. Chem. A 109 2005 | 10.1021/jp054048g
Ramírez-Ramírez, VM; Nebot-Gil, I
"Theoretical study of the formation reaction of the methyl vinyl ketone:: A conformational approach"
Int. J. Quantum Chem. 105 2005 | 10.1002/qua.20723
Ramírez-Ramírez, VM; Nebot-Gil, I
"Theoretical study of the OH addition to the endocyclic and exocyclic double bonds of the d-limonene"
Chem. Phys. Lett. 409 2005 | 10.1016/j.cplett.2005.04.100
Ramírez-Ramírez, VM; Nebot-Gil, I
"Fate of several hydroxyalkyl isoprene radicals:: Formation of hydroxycarbonyl compounds"
Chem. Phys. Lett. 406 2005 | 10.1016/j.cplett.2005.03.001
Real, JA; Gaspar, AB; Muñoz, MC
"Thermal, pressure and light switchable spin-crossover materials"
Dalton Trans. 2005 | 10.1039/b501491c
Rizzo, A; Cappelli, C; Junquera-Hernández, JM; Sánchez de Merás, AMJ; Sánchez-Marín, J; Wilson, DJD; Helgaker, T
"A computational study of some electric and magnetic properties of gaseous BF3 and BCl3 -: art. no. 114307"
J. Chem. Phys. 123 114307 2005 | 10.1063/1.2034487
Rubio, M; Merchán, M; Ortí, E
"A theoretical study on the low-lying excited states of 2,2?:5?,2-terthiophene and 2,2?:5?,2:5,2?-quaterthiophene"
ChemPhysChem 6 2005 | 10.1002/cphc.200400487
Sáez, JA; Arnó, M; Domingo, LR
"Lewis acid induced [4+3] cycloadditions of 2-silyloxyacroleins.: Insights on the mechanism from a DFT analysis"
Tetrahedron 61 2005 | 10.1016/j.tet.2005.05.067
Sandín, P; Martínez-Grau, A; Sánchez, L; Seoane, C; Pou-Amérigo, R; Ortí, E; Martín, N
"The first spiroconjugated TTF- and TCNQ-type molecules:: A new class of electroactive systems?"
Org. Lett. 7 2005 | 10.1021/ol047681d
Seredyuk, M; Gaspar, AB; Ksenofontov, V; Reiman, S; Galyametdinov, Y; Haase, W; Rentschler, E; Gütlich, P
"Multifunctional materials exhibiting spin crossover and liquid-crystalline properties -: Interplay between spin crossover and liquid-crystal properties in iron(II) coordination complexes"
Hyperfine Interact. 166 2005 | 10.1007/s10751-006-9297-2
Serrano-Andrés, L; Merchán, M
"Quantum chemistry of the excited state:: 2005 overview"
Theochem-J. Mol. Struct. 729 2005 | 10.1016/j.theochem.2005.03.020
Serrano-Andrés, L; Merchán, M; Lindh, R
"Computation of conical intersections by using perturbation techniques -: art. no. 104107"
J. Chem. Phys. 122 104107 2005 | 10.1063/1.1866096
Shen, Z; Chen, Y; Frey, H; Stiriba, SE
"Covalent and non-covalent nanocapsules based on hyperbranched polyethylenimine (PEI)."
Abstr. Pap. Am. Chem. Soc. 229 2005
Soriano, A; Silla, E; Tuñón, I; Ruiz-López, MF
"Dynamic and electrostatic effects in enzymatic processes.: An analysis of the nucleophilic substitution reaction in haloalkane dehalogenase"
J. Am. Chem. Soc. 127 2005 | 10.1021/ja046553h
Soriano-Portillo, A; Clemente-León, M; Gómez-García, CJ; Coronado, E; Gálvez, N; Colacio, E; Domínguez-Vera, JM
"Magnetic Langmuir-Blodgett films of ferritin with different iron loadings"
Synth. Met. 148 2005 | 10.1016/j.synthmet.2004.09.003
Tayagaki, T; Galet, A; Molnár, G; Muñoz, MC; Zwick, A; Tanaka, K; Real, JA; Bousseksou, A
"Metal dilution effects on the spin-crossover properties of the three-dimensional coordination polymer Fe(pyrazine)[Pt(CN)4]"
J. Phys. Chem. B 109 2005 | 10.1021/jp0521611
Thétiot, F; Triki, S; Pala, JS; Gómez-García, CJ
"Two bimetallic layered materials with Cu4Fe3 defective cubane units:: syntheses, structures and magnetic properties of {[CuII(tn)]2[FeII(CN)6]}3•[Na3FeIII(CN)6]•12H2O (1) and {[CuII(tn)]2[FeII(CN)6]}•KCl•5H2O(2)."
Synth. Met. 153 2005 | 10.1016/j.synthmet.2005.07.293
Thétiot, F; Triki, S; Pala, JS; Gómez-García, CJ
"Polynitrile anions as ligands:: synthesis, structure and magnetic properties of a new three-dimensional coordination polymer with 2-dicyanomethylene-1,1,3,3-tetracyanopropanediide (tcpd2-) bridging ligand"
Synth. Met. 153 2005 | 10.1016/j.synthmet.2005.07.297
Toma, L; Lescouëzec, R; Vaissermann, J; Herson, P; Marvaud, V; Lloret, F; Julve, M
"[CrIII(L)(CN)4]-:: a new building block in designing cyanide-bridged 4,2-ribbon-like chains {[CrIII(L)(CN)4]2Mn(H2O)2}•nH2O [L=2-aminomethylpyridine (n=6) and 1,10-phenanthroline (n=4)]"
New J. Chem. 29 2005 | 10.1039/b413473g
Toma, L; Toma, LM; Lescouëzec, R; Armentano, D; De Munno, G; Andruh, M; Cano, J; Lloret, F; Julve, M
"Synthesis, crystal structures and magnetic properties of cyanide- and phenolate-bridged [MIIINiII]2 tetranuclear complexes (M = Fe and Cr)"
Dalton Trans. 2005 | 10.1039/b500168b
Toma, LM; Lescouëzec, R; Cangussu, D; Llusar, R; Mata, J; Spey, S; Thomas, JA; Lloret, F; Julve, M
"Design of single cyanide-bridged tetranuclear bimetallic rectangles exhibiting ferromagnetic coupling"
Inorg. Chem. Commun. 8 2005 | 10.1016/j.inoche.2004.12.031
Tong, ML; Monfort, M; Clemente Juan, JM; Chen, XM; Bu, XH; Ohba, M; Kitagawa, S
"A novel high-spin heterometallic Ni12K4 cluster incorporating large Ni-azide circles and an in situ cyanomethylated di-2-pyridyl ketone"
Chem. Commun. 2005 | 10.1039/b415431b
Torrens, F
"Valence topological charge-transfer indices for reflecting polarity: Correction for heteromolecules"
Molecules 10 2005 | 10.3390/10020334
Torrens, F; Abad, C; Codoñer, A; García-Lopera, R; Campos, A
"Interaction of polyelectrolytes with oppositely charged micelles studied by fluorescence and liquid chromatography"
Eur. Polym. J. 41 2005 | 10.1016/j.eurpolymj.2005.01.004
Triki, S; Gómez-García, CJ; Ruiz, E; Sala-Pala, J
"Asymmetric azido-copper(II) bridges:: Ferro- or antiferromagnetic?: Experimental and theoretical magneto-structural studies"
Inorg. Chem. 44 2005 | 10.1021/ic0504543
Triki, S; Thétiot, F; Vandevelde, F; Sala-Pala, J; Gómez-García, CJ
"New magnetic copper(II) coordination polymers with the polynitrile ligand (C[C(CN)2]3)2- and n-donor co-ligands"
Inorg. Chem. 44 2005 | 10.1021/ic050235h
Tudor, V; Kravtsov, VC; Julve, M; Lloret, F; Simonov, YA; Averkiev, BB; Andruh, M
"A new ferromagnetically coupled ?-alkoxo-?-acetato copper(II) trinuclear complex:: [Cu3(H2tea)(Htea)(CH3COO)2](ClO4) (H3tea = triethanolamine)"
Inorg. Chim. Acta 358 2005 | 10.1016/j.ica.2004.12.054
Vaiana, L; Platas-Iglesias, C; Esteban-Gómez, D; Avecilla, F; Clemente-Juan, JM; Real, JA; de Blas, A; Rodriguez-Blas, T
"Designing binuclear transition metal complexes:: a new example of the versatility of N,N?-bis(2-aminobenzyl)-4,13-diaza-18-crown-6"
Dalton Trans. 2005 | 10.1039/b503151f
Van der Werff, PM; Martínez-Ferrero, E; Batten, SR; Jensen, P; Ruiz-Pérez, C; Almeida, M; Waerenborgh, JC; Cashion, JD; Moubaraki, B; Galán-Mascarós, JR; Martinez-Agudo, JM; Coronado, E; Murray, KS
"Hybrid materials containing organometallic cations and 3-D anionic metal dicyanamide networks of type [Cp*2M][M?(dca)3]"
Dalton Trans. 2005 | 10.1039/b415275a
Verdejo, B; Aguilar, J; Doménech, A; Miranda, C; Navarro, P; Jiménez, HR; Soriano, C; García-España, E
"Binuclear Cu2+ complex mediated discrimination between L-glutamate and L-aspartate in water"
Chem. Commun. 2005 | 10.1039/b503417e
Willett, RD; Gómez-García, CJ; Ramakrishna, BL; Twamley, B
"(NBU4)Ni(mnt)2:: A novel bistable high temperature spin-Peierls-like system"
Polyhedron 24 2005 | 10.1016/j.poly.2005.03.088
Willett, RD; Gómez-García, CJ; Twamley, B
"Structure and magnetic properties of [(REDA)Cl]2CuCl4 salts:: A new series of ferromagnetic layer perovskites"
Polyhedron 24 2005 | 10.1016/j.poly.2005.03.077
Zaragozá, RJ; Aurell, MJ; Domingo, LR
"The role of the transfer group in the intramolecular [5+2] cycloadditions of substituted ?-hydroxy-?-pyrones:: a DFT analysis"
J. Phys. Org. Chem. 18 2005 | 10.1002/poc.910
Total: 125
With the support of:
Ayuda CEX2019-000919-M financiada por: