Publications

Armentano, D; De Munno, G; Lloret, F; Palii, AV; Julve, M
"Novel chiral three-dimensional iron(III) compound exhibiting magnetic ordering at Tc=40 K"
Inorg. Chem. 41 2002 | 10.1021/ic011100o Arnó, M; Domingo, LR
"Density functional theory study of the mechanism of the proline-catalyzed intermolecular aldol reaction"
Theor. Chem. Acc. 108 2002 | 10.1007/s00214-002-0381-7 Barberis, M; Pérez-Prieto, J; Herbst, K; Lahuerta, P
"Chiral dirhodium(II) catalysts with ortho-metalated arylphosphine ligands:: Synthesis and application to the enantioselective cyclopropanation of ?-diazo ketones"
Organometallics 21 2002 | 10.1021/om0110437 Bellouard, F; Clemente-León, M; Coronado, E; Galán-Mascarós, JR; Gómez-García, CJ; Romero, F; Dunbar, KR
"Unusual magnetic behavior in the layered ferromagnet [Ni(C6H14N2)2]3[Fe(CN)6]2•-2H2O"
Eur. J. Inorg. Chem. 2002 | 10.1002/1099-0682(200207)2002:7<1603::AID-EJIC1603>3.0.CO;2-T Berlinguette, CP; Galán-Mascarós, JR; Dunbar, KR
"Magnetic phenomena of cyanide-bridged bimetallic molecules."
Abstr. Pap. Am. Chem. Soc. 224 2002 Berlinguette, CP; Smith, JA; Galán-Mascarós, JR; Dunbar, KR
"Structural diversity of cyanide-bridged bimetallic clusters based on hexacyanometallate building blocks"
C. R. Chim. 5 2002 | 10.1016/S1631-0748(02)01429-7 Buckelew, A; Galán-Mascarós, JR; Dunbar, KR
"Facile conversion of the face-centered cubic Prussian-Blue material K2[Mn2(CN)6] into the spinel oxide Mn3O4 at the solid/water interface"
Adv. Mater. 14 2002 | 10.1002/1521-4095(20021118)14:22<1646::AID-ADMA1646>3.0.CO;2-G Carranza, J; Brennan, C; Sletten, J; Lloret, F; Julve, M
"Three one-dimensional systems with end-to-end dicyanamide bridges between copper(II) centres: structural and magnetic properties"
J. Chem. Soc.-Dalton Trans. 2002 | 10.1039/b203085n Casado, J; Miller, LL; Mann, KR; Pappenfus, TM; Higuchi, H; Ortí, E; Milián, B; Pou-Amérigo, R; Hernández, V; Navarrete, JTL
"Quinonoid oligothiophenes as electron-donor and electron-acceptor materials.: A spectroelectrochemical and theoretical study"
J. Am. Chem. Soc. 124 2002 | 10.1021/ja027161i Castillo, R; Silla, E; Tuñón, I
"Role of protein flexibility in enzymatic catalysis:: Quantum mechanical-molecular mechanical study of the deacylation reaction in class A ?-lactamases"
J. Am. Chem. Soc. 124 2002 | 10.1021/ja017156z Castro, I; Calatayud, ML; Lloret, F; Sletten, J; Julve, M
"Syntheses, crystal structures and magnetic properties of di- and trinuclear croconato-bridged copper(II) complexes"
J. Chem. Soc.-Dalton Trans. 2002 | 10.1039/b201090a Cava, RJ; DiSalvo, FJ; Brus, LE; Dunbar, KR; Gorman, CB; Haile, SM; Interrante, LV; Musfeldt, JL; Navrotsky, A; Nuzzo, RG; Pickett, WE; Wilkinson, AP; Ahn, C; Allen, JW; Burns, PC; Ceder, G; Chidsey, CED; Clegg, W; Coronado, E; Dai, HJ; Deem, MW; Dunn, BS; Galli, G; Jacobson, AJ; Kanatzidis, M; Lin, WB; Manthiram, A; Mrksich, M; Norris, DJ; Nozik, AJ; Peng, XG; Rawn, C; Rolison, D; Singh, DJ; Toby, BH; Tolbert, S; Wiesner, UB; Woodward, PM; Yang, PD
"Future directions in solid state chemistry: report of the NSF-sponsored workshop"
Prog. Solid State Chem. 30 2002 | 10.1016/S0079-6786(02)00010-9 Cheng, S; Fernández-Otero, T; Coronado, E; Gómez-García, CJ; Martínez-Ferrero, E; Giménez-Saiz, C
"Hybrid material polypyrrole/[SiCr(H2O)W11O39]5-:: Electrogeneration, properties, and stability under cycling"
J. Phys. Chem. B 106 2002 | 10.1021/jp014340y Clemente-Juan, JM; Coronado, E; Gaita-Ariño, A; Giménez-Saiz, C; Chaboussant, G; Güdel, HU; Burriel, R; Mutka, H
"Magnetism in polyoxometalates:: Anisotropic exchange interactions in the Co3II moiety of [Co3W(D2O)2(ZnW9O34)2]12- -: A magnetic and inelastic neutron scattering study"
Chem.-Eur. J. 8 2002 | 10.1002/1521-3765(20021216)8:24<5701::AID-CHEM5701>3.0.CO;2-T Clemente-León, M; Coronado, E; Galán-Mascarós, JR; Giménez-Saiz, C; Gómez-García, CJ; Fabre, JM; Mousdis, GA; Papavassiliou, GC
"Hybrid molecular materials based upon organic ?-electron donors and inorganic metal complexes.: Conducting salts of bis(ethylenediseleno)tetrathiafulvalene (BEST) with the octahedral anions hexacyanoferrate(III) and nitroprusside"
J. Solid State Chem. 168 2002 | 10.1006/jssc.2002.9759 Clemente-León, M; Coronado, E; Gómez-García, CJ; Martínez-Ferrero, E
"Polyoxometalates as inorganic building blocks of multifunctional molecular materials"
J. Clust. Sci. 13 2002 | 10.1023/A:1020503100147 Colacio, E; Kivekas, R; Lloret, F; Sunberg, M; Suarez-Varela, J; Bardají, M; Laguna, A
"Architecture dependence on the steric constrains of the ligand in cyano-bridged copper(I) and Copper(II)-Copper(I) mixed-valence polymer compounds containing diamines:: Crystal structures and spectroscopic and magnetic properties"
Inorg. Chem. 41 2002 | 10.1021/ic025743v Coronado, E; Gómez-García, CJ; Nuez, A; Romero, FM; Rusanov, E; Stoeckli-Evans, H
"Ferromagnetism and chirality in two-dimensional cyanide-bridged bimetallic compounds"
Inorg. Chem. 41 2002 | 10.1021/ic0257219 Curreli, S; Deplano, P; Mercuri, ML; Pilia, L; Serpe, A; Bigoli, F; Pellinghelli, MA; Coronado, E; Gómez-García, CJ; Canadell, E
"A new conducting molecular solid based on the magnetic [Ni(dmf)6]2+ cation and on [Ni(dsit)2]22- (dsit=1,3-dithiole-2-thione-4,5-diselenolate) showing an unprecedented anion packing"
J. Solid State Chem. 168 2002 | 10.1006/jssc.2002.9763 Deplano, P; Leoni, L; Mercuri, ML; Schlueter, JA; Geiser, U; Wang, HH; Kini, AM; Manson, JL; Gómez-García, CJ; Coronado, E; Koo, KJ; Whangbo, MH
"A two-dimensional radical salt based upon BEDT-TTF and the dimeric, magnetic anion [Fe(tdas)2]22-:: (BEDT-TTF)2[Fe(tdas)2] (tdas=1,2,5-thiadiazole-3,4-dithiolate)"
J. Mater. Chem. 12 2002 | 10.1039/b204435h Domingo, LR
"A density functional theory study for the Diels-Alder reaction between N-acyl-1-aza-1,3-butadienes and vinylamines.: Lewis acid catalyst and solvent effects"
Tetrahedron 58 PII S0040-4020(02)00326-5 2002 | 10.1016/S0040-4020(02)00326-5 Domingo, LR; Arnó, M; Contreras, R; Pérez, P
"Density functional theory study for the cycloaddition of 1,3-butadienes with dimethyl acetylenedicarboxylate.: Polar stepwise vs concerted mechanisms"
J. Phys. Chem. A 106 2002 | 10.1021/jp012603i Domingo, LR; Asensio, A; Arroyo, P
"Density functional theory study of the Lewis acid-catalyzed Diels-Alder reaction of nitroalkenes with vinyl ethers using aluminum derivatives"
J. Phys. Org. Chem. 15 2002 | 10.1002/poc.529 Domingo, LR; Aurell, MJ
"Density functional theory study of the cycloaddition reaction of furan derivatives with masked o-benzoquinones.: Does the furan act as a dienophile in the cycloaddition reaction?"
J. Org. Chem. 67 2002 | 10.1021/jo011003c Domingo, LR; Aurell, MJ; Pérez, P; Contreras, R
"Quantitative characterization of the local electrophilicity of organic molecules.: Understanding the regioselectivity on Diels-Alder reactions"
J. Phys. Chem. A 106 2002 | 10.1021/jp020715j Domingo, LR; Aurell, MJ; Pérez, P; Contreras, R
"Quantitative characterization of the global electrophilicity power of common diene/dienophile pairs in Diels-Alder reactions"
Tetrahedron 58 PII S0040-4020(02)00410-6 2002 | 10.1016/S0040-4020(02)00410-6 Font-Sanchis, E; Miranda, MA; Pérez-Prieto, J; Scaiano, JC
"Laser flash photolysis of [3,n]paracyclophan-2-ones.: Direct observation and chemical behavior of 4,4?-(1,n-alkanediyl)bisbenzyl biradicals"
J. Org. Chem. 67 2002 | 10.1021/jo025776s Fülscher, MP; Serrano-Andrés, L
"Quasi diabatic CASSCF state functions"
Mol. Phys. 100 2002 | 10.1080/00268970110101590 Galletero, MS; Alvaro, M; García, H; Gómez-García, CJ; Lay, AK
"Spontaneous doping and magnetic properties of polyacetylene and polypropyne synthesized in situ in Ni-exchanged mordenite and mesoporous MCM-41"
Phys. Chem. Chem. Phys. 4 2002 | 10.1039/b104722c Garavelli, M; Bernardi, F; Cembran, A; Castaño, O; Frutos, LM; Merchán, M; Olivucci, M
"Cyclooctatetraene computational photo- and thermal chemistry:: A reactivity model for conjugated hydrocarbons"
J. Am. Chem. Soc. 124 2002 | 10.1021/ja020741v Gaspar, AB; Ksenofontov, V; Spiering, H; Reiman, S; Real, JA; Gütlich, P
"Interplay of antiferromagnetic coupling and spin crossover in dinuclear iron(II) complexes"
Hyperfine Interact. 144 2002 | 10.1023/A:1025466009543 Giménez-Saiz, C; Slawin, AMZ; Woollins, JD
"Original packing and unusual molecular conformation of the bis(ethylenedithio)tetrathiafulvalene (ET) donors induced by cation-anion interactions in the radical salt ET5[B10I10]•(CH2Cl2)0.8 -: art. no. 15"
Crystengcomm 4 15 2002 | 10.1039/b111262g Goeta, AE; Thompson, AL; Real, JA; Niel, V; Gaspar, AB; Munoz, MC
"A NOVEL Fe(II) FRAMEWORK STRUCTURE: CORRELATIONS TO ITS THERMAL AND LIGHT INDUCED SPIN TRANSITIONS"
Acta Crystallogr. Sect. A 58 2002 | 10.1107/S0108767302093182 Grove, H; Sletten, J; Julve, M; Lloret, F; Lezama, L; Carranza, J; Parsons, S; Rillema, P
"Copper(II) complexes of 1,4,5,8,9,12-hexaazatriphenylene with oxalate, squarate, perchlorate as auxiliary ligands or counter ion"
J. Mol. Struct. 606 PII S0022-2860(01)00891-2 2002 | 10.1016/S0022-2860(01)00891-2 Gutierrez, L; Alzuet, G; Real, JA; Cano, J; Borrás, J; Castiñeiras, A
"Strong ferromagnetic coupling in linear mixed ?-acetato, ?-hydroxo trinuclear copper(II) complexes with N-sulfonamide derivatives -: Synthesis, structure, EPR and magnetic properties"
Eur. J. Inorg. Chem. I01376 2002 Haji, C; Testa, ML; Zaballos-García, E; Zaragozá, RJ; Server-Carrió, J; Sepúlveda-Arques, J
"Chemoselective reactions of N1-methyl-2-hydroxy-3-methylamino-3-phenylpropanamide with electrophiles.: Synthesis of chiral hexahydro-4-pyrimidinones and oxazolidines"
Tetrahedron 58 PII S0040-4020(02)00235-1 2002 Hernández-Molina, M; Lorenzo-Luis, P; Ruiz-Pérez, C; López, T; Martín, IR; Anderson, KM; Orpen, AG; Bocanegra, EH; Lloret, F; Julve, M
"A phase transition in the novel three-dimensional compound [Eu2(mal)3(H2O)6] (H2mal = malonic acid)"
J. Chem. Soc.-Dalton Trans. 2002 | 10.1039/b202649j Lescouezec, R; Lloret, F; Julve, M; Vaissermann, J; Verdaguer, M
"[Fe(bipy)(CN)4]- as a versatile building block, for the design of heterometallic systems:: Synthesis, crystal structure, and magnetic properties of PPh4[FeIII(bipy)(CN)4]•H2O, [{FeIII(bipy)(CN)4}2MII(H2O)4]•4H2O, and [{FeIII(bipy)(CN)4}2ZnII]•2H2O [bipy=2,2?-bipyridine; M = Mn and Zn]"
Inorg. Chem. 41 2002 | 10.1021/ic0107882 Lescouezec, R; Vaissermann, J; Lloret, F; Julve, M; Verdaguer, M
"Ferromagnetic coupling between low- and high-spin iron(III) ions in the tetranuclear complex fac-{[FeIII{HB(pz)3}(CN)2(?-CN)]3FeIII(H2O)3}•6H2O ([HB(pz)3]- = hydrotris(1-pyrazolyl)borate)"
Inorg. Chem. 41 2002 | 10.1021/ic020374o Marinescu, G; Lescouëzec, R; Armentano, D; De Munno, G; Andruh, M; Uriel, S; Llusar, R; Lloret, F; Julve, M
"[Cr(bpym)(C2O4)2]- in designing heterometallic complexes.: Crystal structures and magnetic properties of PPh4[Cr(bpym)(C2O4)2]•H2O and [Ag(bpym)][Cr(C2O4)2](H2O)2]•2H2O (bpym=2,2?-bipyrimidine)"
Inorg. Chim. Acta 336 PII S0020-1693(02)00880-0 2002 | 10.1016/S0020-1693(02)00880-0 Miranda, MA; Font-Sanchis, E; Pérez-Prieto, J; Scaiano, JC
"Flash photolysis of (E)-1,2-bis(1-chloro-1-phenylmethyl)cyclopropane.: Generation of 1,5-diphenylpentadienyl radical and 1,5-diphenylpentadienylium cation"
J. Org. Chem. 67 2002 | 10.1021/jo010776y Molíner, N; Muñoz, MC; Létard, S; Salmon, L; Tuchagues, JP; Bousseksou, A; Real, JA
"Mass effect on the equienergetic high-spin/low-spin states of spin-crossover in 4,4?-bipyridine-bridged iron(II) polymeric compounds:: Synthesis, structure, and magnetic, Mossbauer, and theoretical studies"
Inorg. Chem. 41 2002 | 10.1021/ic0203825 Moliner, N; Salmon, L; Capes, L; Muñoz, MC; Létard, JF; Bousseksou, A; Tuchagues, JP; McGarvey, JJ; Dennis, AC; Castro, M; Burriel, R; Real, JA
"Thermal and optical switching of molecular spin states in the {FeL[H2B(pz)2]2} spin-crossover system (L = bpy, phen)"
J. Phys. Chem. B 106 2002 | 10.1021/jp013872b Niel, V; Muñoz, MC; Gaspar, AB; Galet, A; Levchenko, G; Real, JA
"Thermal-, pressure-, and light-induced spin transition in novel cyanide-bridged FeII-AgI bimetallic compounds with three-dimensional interpenetrating double structures {FeIILx[Ag(CN)2]2}•G"
Chem.-Eur. J. 8 2002 | 10.1002/1521-3765(20020603)8:11<2446::AID-CHEM2446>3.0.CO;2-K Otero, TF; Cheng, SA; Coronado, E; Ferrero, EM; Gómez-Garcia, CJ
"Functional hybrid materials containing polypyrrole and polyoxometalate clusters:: Searching for high conductivities and specific charges"
ChemPhysChem 3 2002 | 10.1002/1439-7641(20020916)3:9<808::AID-CPHC808>3.0.CO;2-U Pedersen, TB; Cacheiro, JL; Fernández, B; Koch, H
"Rovibrational structure of the Ar-CO complex based on a novel three-dimensional ab initio potential"
J. Chem. Phys. 117 2002 | 10.1063/1.1493180 Peiró-García, J; Nebot-Gil, I
"Ab initio study of the mechanism and thermochemistry of the atmospheric reaction NO+O3-NO2+O2"
J. Phys. Chem. A 106 2002 | 10.1021/jp020422q Pérez-Ramírez, J; Ribera, A; Kapteijn, F; Coronado, E; Gómez-García, CJ
"Magnetic properties of Co-Al, Ni-Al, and Mg-Al hydrotalcites and the oxides formed upon their thermal decomposition"
J. Mater. Chem. 12 2002 | 10.1039/b110314h Piqueras, MC; Merchán, M; Crespo, R; Michl, J
"Conformational effects on the ultraviolet absorption spectrum of n-tetrasilane:: Multistate complete active space second-order perturbation theory treatment"
J. Phys. Chem. A 106 2002 | 10.1021/jp020460+ Pitarch-Ruiz, J; Sánchez-Marín, J; Martín, I; Velasco, AM
"Vertical excitation energies and ionization potentials of H2S.: A size-consistent self-consistent singles and doubles configuration interaction (SC)2-MR-SDCI calculation"
J. Phys. Chem. A 106 2002 | 10.1021/jp020522w Pitarch-Ruiz, J; Sánchez-Marín, J; Maynau, D
"Reducing CAS-SDCI space.: Using selected spaces in configuration interaction calculations in an efficient way"
J. Comput. Chem. 23 2002 | 10.1002/jcc.10092 Pou-Amérigo, R; Ortí, E; Merchán, M; Rubio, M; Viruela, PM
"Electronic transitions in tetrathiafulvalene and its radical cation:: A theoretical contribution"
J. Phys. Chem. A 106 2002 | 10.1021/jp013634g Pou-Amérigo, R; Viruela, PM; Viruela, R; Rubio, M; Ortí, E
"Electronic spectra of tetrathiafulvalene and its radical cation:: analysis of the performance of the time-dependent DFT approach"
Chem. Phys. Lett. 352 2002 | 10.1016/S0009-2614(01)01484-1 Rodríguez-Martín, Y; Hernández-Molina, M; Delgado, FS; Pasán, J; Ruiz-Pérez, C; Sanchiz, J; Lloret, F; Julve, M
"Structural versatility of the malonate ligand as a tool for crystal engineering in the design of molecular magnets"
Crystengcomm 4 2002 | 10.1039/b202166h Rodríguez-Martín, Y; Sanchiz, J; Ruiz-Pérez, C; Lloret, F; Julve, M
"Alternating cationic-anionic layers in the [MII(H2O)6][CuII(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid)"
Crystengcomm 4 2002 | 10.1039/b206728e Roos, BO; Malmqvist, PÅ; Molina, V; Serrano-Andrés, L; Merchán, M
"Theoretical characterization of the lowest-energy absorption band of pyrrole"
J. Chem. Phys. 116 2002 | 10.1063/1.1465406 Ruiz-Pérez, C; Luis, PAL; Lloret, F; Julve, M
"Dimensionally controlled hydrogen-bonded nanostructures:: synthesis, structure, thermal and magnetic behaviour of the tris(chelated)nickel(II) complex [Ni(bipy)3]Cl2.5.5H2O(bipy=2,2?-bipyridyl)"
Inorg. Chim. Acta 336 PII S0020-1693(02)00840-X 2002 | 10.1016/S0020-1693(02)00840-X Sanchiz, J; Rodríguez-Martín, Y; Ruiz-Pérez, C; Mederos, A; Lloret, F; Julve, M
"Ferromagnetic coupling in the malonato-bridged copper(II) chains [Cu(Im)2(mal)]n and [Cu(2-MeIm)2(mal)]n (H2mal = malonic acid, Im = imidazole and 2-MeIm=2-methylimidazole"
New J. Chem. 26 2002 | 10.1039/b201849g Serrano-Andrés, L; Pou-Amérigo, R; Fülscher, MP; Borin, AC
"Electronic excited states of conjugated cyclic ketones and thioketones:: A theoretical study"
J. Chem. Phys. 117 2002 | 10.1063/1.1482706 Suaud, N; Gaita-Ariño, A; Clemente-Juan, JM; Sánchez-Marín, J; Coronado, E
"Electron delocalization in mixed-valence Keggin polyoxometalates.: Ab initio calculation of the local effective transfer integrals and its consequences on the spin coupling"
J. Am. Chem. Soc. 124 2002 | 10.1021/ja027806e Thétiot, F; Triki, S; Pala, JS; Gómez-García, CJ
"New coordination polymers with a 2,2-dicyano-1-ethoxyethenolate (dcne-) bridging ligand:: syntheses, structural characterisation and magnetic properties of [M(dcne)2(H2O)2] (M = MnII, FeII, CoII, NiII and ZnII) and [Cu(dcne)2(H2O)]"
J. Chem. Soc.-Dalton Trans. 2002 | 10.1039/b107944c Toma, LM; Lescouëzec, R; Toma, LD; Lloret, F; Julve, M; Vaissermann, J; Andruh, M
"[Mn2(bipym)(H2O)8]4+ and [Fe(bipy)(CN)4]- as building blocks in designing novel bipym- and cyanide-bridged heterobimetallic complexes (bipym=2,2?-bipyrimidine and bipy=2,2?-bipyridine)"
J. Chem. Soc.-Dalton Trans. 2002 | 10.1039/b202422p Torrens, F
"Fractal hybrid orbitals analysis of the tertiary structure of protein molecules"
Molecules 7 2002 | 10.3390/70100026 Torrens, F
"Molecular polarizability of fullerenes and endohedral metallofullerenes"
J. Phys. Org. Chem. 15 2002 | 10.1002/poc.545 Vangdal, B; Carranza, J; Lloret, F; Julve, M; Sletten, J
"Syntheses, crystal structures and magnetic properties of copper(II) dicyanamide complexes; dinuclear, chain and ladder compounds"
J. Chem. Soc.-Dalton Trans. 2002 | 10.1039/b105981p Zurowska, B; Mrozinski, J; Julve, M; Lloret, F; Maslejova, A; Sawka-Dobrowolska, W
"Structural, spectral, and magnetic properties of end-to-end di-?-thiocyanato-bridged polymeric complexes of Ni(II) and Co(II).: X-ray crystal structure of di-?-thiocyanatobis(imidazole)nickel(II)"
Inorg. Chem. 41 2002 | 10.1021/ic010792d Total: 66