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1. Alkorta, I; Rozas, I; Elguero, J
   Theoretical study of the Si-H group as potential hydrogen bond donor
   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
   
   I. Alkorta et al., "Theoretical study of the Si-H group as potential hydrogen bond donor", INT J QUANT, 86(1), 2002, pp. 122-129
2. Mo, O; Yanez, M; Gonzalez, L; Elguero, J
   Spontaneous self-ionization in the gas phase: A theoretical prediction
   CHEMPHYSCHEM
   
   O. Mo et al., "Spontaneous self-ionization in the gas phase: A theoretical prediction", CHEMPHYSCHE, 2(7), 2001, pp. 465-467
3. Abboud, JLM; Foces-Foces, C; Notario, R; Trifonov, RE; Volovodenko, AP; Ostrovskii, VA; Alkorta, I; Elguero, J
   Basicity of N-H- and N-methyl-1,2,3-triazoles in the gas phase, in solution, and in the solid state - An experimental and theoretical study
   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
   
   J.L.M. Abboud et al., "Basicity of N-H- and N-methyl-1,2,3-triazoles in the gas phase, in solution, and in the solid state - An experimental and theoretical study", EUR J ORG C, (16), 2001, pp. 3013-3024
4. Yranzo, GI; Elguero, J; Flammang, R; Wentrup, C
   Formation of cumulenes, triple-bonded, and related compounds by flash vacuum thermolysis of five-membered heterocycles
   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
   
   G.I. Yranzo et al., "Formation of cumulenes, triple-bonded, and related compounds by flash vacuum thermolysis of five-membered heterocycles", EUR J ORG C, (12), 2001, pp. 2209-2220
5. Claramunt, RM; Sanz, D; Alarcon, SH; Torralba, MP; Elguero, J; Foces-Foces, C; Pietrzak, M; Langer, U; Limbach, HH
   6-aminofulvene-1-aldimine: A model molecule for the study of intramolecular hydrogen bonds
   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
   
   R.M. Claramunt et al., "6-aminofulvene-1-aldimine: A model molecule for the study of intramolecular hydrogen bonds", ANGEW CHEM, 40(2), 2001, pp. 420-423
6. Elguero, J; Guerrero, A; de la Torre, FG; de la Hoz, A; Jalon, FA; Manzano, BR; Rodriguez, A
   New complexes with pyrazole-containing ligands and different metallic centres. Comparative study of their fluxional behaviour involving M-N bond rupture
   NEW JOURNAL OF CHEMISTRY
   
   J. Elguero et al., "New complexes with pyrazole-containing ligands and different metallic centres. Comparative study of their fluxional behaviour involving M-N bond rupture", NEW J CHEM, 25(8), 2001, pp. 1050-1060
7. Claramunt, RM; Lopez, C; Garcia, MA; Otero, MD; Torres, MR; Pinilla, E; Alarcon, SH; Akorta, I; Elguero, J
   The structure of halogeno-1,2,4-triazoles in the solid state and in solution
   NEW JOURNAL OF CHEMISTRY
   
   R.M. Claramunt et al., "The structure of halogeno-1,2,4-triazoles in the solid state and in solution", NEW J CHEM, 25(8), 2001, pp. 1061-1068
8. Trofimenko, S; Rheingold, AL; Liable-Sands, LM; Claramunt, RM; Lopez, C; Santa Maria, MD; Elguero, J
   The molecular structure of 4-tert-butylpyrazoles in the solid state and insolution: an X-ray, NMR and calorimetric study of the buttressing effect of a 4-tert-butyl substituent
   NEW JOURNAL OF CHEMISTRY
   
   S. Trofimenko et al., "The molecular structure of 4-tert-butylpyrazoles in the solid state and insolution: an X-ray, NMR and calorimetric study of the buttressing effect of a 4-tert-butyl substituent", NEW J CHEM, 25(6), 2001, pp. 819-823
9. Moreno-Manas, M; Sebastian, RM; Vallribera, A; Piniella, JF; Alvarez-Larena, A; Jimeno, ML; Elguero, J
   Structure of chiral pyrazoles in the solid state and in solution
   NEW JOURNAL OF CHEMISTRY
   
   M. Moreno-Manas et al., "Structure of chiral pyrazoles in the solid state and in solution", NEW J CHEM, 25(2), 2001, pp. 329-335
10. Rozas, I; Alkorta, I; Elguero, J
    Intramolecular hydrogen bonds in ortho-substituted hydroxybenzenes and in 8-susbtituted 1-hydroxynaphthalenes: Can a methyl group be an acceptor of hydrogen bonds?
    JOURNAL OF PHYSICAL CHEMISTRY A
    
    I. Rozas et al., "Intramolecular hydrogen bonds in ortho-substituted hydroxybenzenes and in 8-susbtituted 1-hydroxynaphthalenes: Can a methyl group be an acceptor of hydrogen bonds?", J PHYS CH A, 105(45), 2001, pp. 10462-10467
11. Alkorta, I; Rozas, I; Elguero, J
    Molecular complexes between silicon derivatives and electron-rich groups
    JOURNAL OF PHYSICAL CHEMISTRY A
    
    I. Alkorta et al., "Molecular complexes between silicon derivatives and electron-rich groups", J PHYS CH A, 105(4), 2001, pp. 743-749
12. Alkorta, I; Rozas, I; Mo, O; Yanez, M; Elguero, J
    Hydrogen bond vs proton transfer between neutral molecules in the gas phase
    JOURNAL OF PHYSICAL CHEMISTRY A
    
    I. Alkorta et al., "Hydrogen bond vs proton transfer between neutral molecules in the gas phase", J PHYS CH A, 105(31), 2001, pp. 7481-7485
13. Alkorta, I; Rozas, I; Jimeno, ML; Elguero, J
    A theoretical and experimental study of the interaction of C6F6 with electron donors
    STRUCTURAL CHEMISTRY
    
    I. Alkorta et al., "A theoretical and experimental study of the interaction of C6F6 with electron donors", STRUCT CHEM, 12(6), 2001, pp. 459-464
14. Notario, R; Castano, O; Andres, JL; Elguero, J; Maier, G; Hermann, C
    An experimental and theoretical study of the basicity of tetra-tert-butyltetrahedrane
    CHEMISTRY-A EUROPEAN JOURNAL
    
    R. Notario et al., "An experimental and theoretical study of the basicity of tetra-tert-butyltetrahedrane", CHEM-EUR J, 7(2), 2001, pp. 342-346
15. Pietrzak, M; Limbach, HH; Perez-Torralba, M; Sanz, D; Claramunt, RM; Elguero, J
    Scalar coupling constants across the intramolecular NHN hydrogen bond of symmetrically and non-symmetrically substituted 6-aminofulvene-1-aldimines
    MAGNETIC RESONANCE IN CHEMISTRY
    
    M. Pietrzak et al., "Scalar coupling constants across the intramolecular NHN hydrogen bond of symmetrically and non-symmetrically substituted 6-aminofulvene-1-aldimines", MAGN RES CH, 39, 2001, pp. S100-S108
16. Milata, V; Claramunt, RM; Cabildo, P; Santa Maria, MD; Cornago, P; Infantes, L; Cano, FH; Elguero, J
    2,4,6-tris(azol-1-yl)-1,3,5-triazines: A new class of multidentate ligands
    HETEROCYCLES
    
    V. Milata et al., "2,4,6-tris(azol-1-yl)-1,3,5-triazines: A new class of multidentate ligands", HETEROCYCLE, 55(5), 2001, pp. 905-924
17. Claramunt, RM; Lopez, C; Sanz, D; Alkorta, I; Elguero, J
    A multinuclear NMR spectral study of parent azoles and benzazoles: Experimental results and GIAO ab initio calculations
    HETEROCYCLES
    
    R.M. Claramunt et al., "A multinuclear NMR spectral study of parent azoles and benzazoles: Experimental results and GIAO ab initio calculations", HETEROCYCLE, 55(11), 2001, pp. 2109-2121
18. Sanchez-Andrada, P; Alkorta, I; Elguero, J
    A theoretical study of the addition reactions of HF, H2O, H2S, NH3 and HCNto carbodiimide and related heterocumulenes
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    
    P. Sanchez-Andrada et al., "A theoretical study of the addition reactions of HF, H2O, H2S, NH3 and HCNto carbodiimide and related heterocumulenes", J MOL ST-TH, 544, 2001, pp. 5-23
19. Alkorta, I; Rozas, I; Elguero, J
    Transition metals as hydrogen bond acceptors: a theoretical study
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    
    I. Alkorta et al., "Transition metals as hydrogen bond acceptors: a theoretical study", J MOL ST-TH, 537, 2001, pp. 139-150
20. Foces-Foces, C; Jagerovic, N; Elguero, J
    Crystal structure of 1,3,5-triphenyl-2-pyrazoline: a case of spontaneous resolution
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE
    
    C. Foces-Foces et al., "Crystal structure of 1,3,5-triphenyl-2-pyrazoline: a case of spontaneous resolution", Z KRISTALL, 216(4), 2001, pp. 240-244
21. Esteves-Souza, A; Echevarria, A; Vencato, I; Jimeno, ML; Elguero, J
    Unexpected formation of bis-pyrazolyl derivatives by solid support coupledwith microwave irradiation
    TETRAHEDRON
    
    A. Esteves-Souza et al., "Unexpected formation of bis-pyrazolyl derivatives by solid support coupledwith microwave irradiation", TETRAHEDRON, 57(29), 2001, pp. 6147-6153
22. Alkorta, I; Rozas, I; Elguero, J
    An ab initio study of the NMR properties (absolute shieldings and NICS) ofa series of significant aromatic and antiaromatic compounds
    TETRAHEDRON
    
    I. Alkorta et al., "An ab initio study of the NMR properties (absolute shieldings and NICS) ofa series of significant aromatic and antiaromatic compounds", TETRAHEDRON, 57(28), 2001, pp. 6043-6049
23. de la Hoz, A; Diaz-Ortiz, A; Elguero, J; Martinez, LJ; Moreno, A; Sanchez-Migallon, A
    Solvent-free preparation of tris-pyrazolyl-1,3,5-triazines
    TETRAHEDRON
    
    A. de la Hoz et al., "Solvent-free preparation of tris-pyrazolyl-1,3,5-triazines", TETRAHEDRON, 57(20), 2001, pp. 4397-4403
24. Alkorta, I; Elguero, J; Fruchier, A; Macquarrie, DJ; Virgili, A
    Aminopropylsilances versus silatranes: an experimental and theoretical study
    JOURNAL OF ORGANOMETALLIC CHEMISTRY
    
    I. Alkorta et al., "Aminopropylsilances versus silatranes: an experimental and theoretical study", J ORGMET CH, 625(2), 2001, pp. 148-153
25. Pardo, C; Sesmilo, E; Gutierrez-Puebla, E; Monge, A; Elguero, J; Fruchier, A
    New chiral molecular tweezers with a bis-Troger's base skeleton
    JOURNAL OF ORGANIC CHEMISTRY
    
    C. Pardo et al., "New chiral molecular tweezers with a bis-Troger's base skeleton", J ORG CHEM, 66(5), 2001, pp. 1607-1611
26. Pardo, C; Sesmilo, E; Gutierrez-Puebla, E; Monge, A; Elguero, J; Fruchier, A
    New molecular tweezers with a bis-Troger's base skeleton. (vol 66, pg 1607, 2001)
    JOURNAL OF ORGANIC CHEMISTRY
    
    C. Pardo et al., "New molecular tweezers with a bis-Troger's base skeleton. (vol 66, pg 1607, 2001)", J ORG CHEM, 66(11), 2001, pp. 4104-4104
27. Silva, AMS; Alkorta, I; Elguero, J; Silva, VLM
    A C-13 NMR study of the structure of four cinnamic acids and their methyl esters
    JOURNAL OF MOLECULAR STRUCTURE
    
    A.M.S. Silva et al., "A C-13 NMR study of the structure of four cinnamic acids and their methyl esters", J MOL STRUC, 595(1-3), 2001, pp. 1-6
28. Ochando, LE; Amigo, JM; Rius, J; Louer, D; Fontenas, C; Elguero, J
    The crystal structure of 3,5-diisopropyl-4-nitropyrazole from X-ray powderdiffraction data
    JOURNAL OF MOLECULAR STRUCTURE
    
    L.E. Ochando et al., "The crystal structure of 3,5-diisopropyl-4-nitropyrazole from X-ray powderdiffraction data", J MOL STRUC, 562(1-3), 2001, pp. 11-17
29. Patellis, AM; Galy, JP; Kister, J; Chicheportiche, R; Elguero, J
    Absorption and fluorescence properties of acridinones, thioacridinones, aminoacridines and related crown ethers
    JOURNAL OF HETEROCYCLIC CHEMISTRY
    
    A.M. Patellis et al., "Absorption and fluorescence properties of acridinones, thioacridinones, aminoacridines and related crown ethers", J HETERO CH, 38(5), 2001, pp. 1113-1118
30. Claramunt, RM; Sanz, D; Alkorta, I; Elguero, J; Foces-Foces, C; Llamas-Saiz, AL
    Ab initio study of azolides: Energetic and spectroscopic properties
    JOURNAL OF HETEROCYCLIC CHEMISTRY
    
    R.M. Claramunt et al., "Ab initio study of azolides: Energetic and spectroscopic properties", J HETERO CH, 38(2), 2001, pp. 443-450
31. Flammang, R; Barbieux-Flammang, M; Le, HT; Gerbaux, P; Elguero, J; Nguyen, MT
    Collisional activation of protonated C-halogenopyrazoles
    CHEMICAL PHYSICS LETTERS
    
    R. Flammang et al., "Collisional activation of protonated C-halogenopyrazoles", CHEM P LETT, 347(4-6), 2001, pp. 465-472
32. Espinosa, E; Alkorta, I; Rozas, I; Elguero, J; Molins, E
    About the evaluation of the local kinetic, potential and total energy densities in closed-shell interactions
    CHEMICAL PHYSICS LETTERS
    
    E. Espinosa et al., "About the evaluation of the local kinetic, potential and total energy densities in closed-shell interactions", CHEM P LETT, 336(5-6), 2001, pp. 457-461
33. Foces-Foces, C; Echevarria, A; Jagerovic, N; Alkorta, I; Elguero, J; Langer, U; Klein, O; Minguet-Bonvehi, M; Limbach, HH
    A solid-state NMR, X-ray diffraction, and ab initio computational study ofhydrogen-bond structure and dynamics of pyrazole-4-carboxylic acid chains
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    
    C. Foces-Foces et al., "A solid-state NMR, X-ray diffraction, and ab initio computational study ofhydrogen-bond structure and dynamics of pyrazole-4-carboxylic acid chains", J AM CHEM S, 123(32), 2001, pp. 7898-7906
34. Pietrzak, M; Wehling, J; Limbach, HH; Golubev, NS; Lopez, C; Claramunt, RM; Elguero, J
    C-13 detected scaler nitrogen-nitrogen couplings across the intramolecularsymmetric NHN hydrogen bond of proton sponge
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    
    M. Pietrzak et al., "C-13 detected scaler nitrogen-nitrogen couplings across the intramolecularsymmetric NHN hydrogen bond of proton sponge", J AM CHEM S, 123(18), 2001, pp. 4338-4339
35. Claramunt, RM; Escolastico, C; Elguero, J
    Addition of 3(5)-methylpyrazole to p-benzoquinone
    ARKIVOC
    
    R.M. Claramunt et al., "Addition of 3(5)-methylpyrazole to p-benzoquinone", ARKIVOC, 2, 2001, pp. 965-970
36. Claramunt, RM; Escolastico, C; Elguero, J
    Methylation of (1-azolyl)-1,4-dihydroxybenzenes
    ARKIVOC
    
    R.M. Claramunt et al., "Methylation of (1-azolyl)-1,4-dihydroxybenzenes", ARKIVOC, 2, 2001, pp. 1018-1026
37. Claramunt, RM; Lopez, C; Garcia, MD; Pierrot, M; Giorgi, M; Elguero, J
    3(5)-(1-Adamantyl)pyrazoles: chemistry and molecular structure
    JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
    
    R.M. Claramunt et al., "3(5)-(1-Adamantyl)pyrazoles: chemistry and molecular structure", J CHEM S P2, (10), 2000, pp. 2049-2053
38. Pinto, DCGA; Silva, AMS; Levai, A; Cavaleiro, JAS; Patonay, T; Elguero, J
    Synthesis of 3-benzoyl-4-styryl-2-pyrazolines and their oxidation to the corresponding pyrazoles
    EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
    
    D.C.G.A. Pinto et al., "Synthesis of 3-benzoyl-4-styryl-2-pyrazolines and their oxidation to the corresponding pyrazoles", EUR J ORG C, (14), 2000, pp. 2593-2599
39. Ugalde, JM; Alkorta, I; Elguero, J
    Water clusters: Towards an understanding based on first principles of their static and dynamic properties
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
    
    J.M. Ugalde et al., "Water clusters: Towards an understanding based on first principles of their static and dynamic properties", ANGEW CHEM, 39(4), 2000, pp. 717
40. Orza, JM; Garcia, MV; Alkorta, I; Elguero, J
    Vibrational spectra of 3,5-dimethylpyrazole and deuterated derivatives
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
    
    J.M. Orza et al., "Vibrational spectra of 3,5-dimethylpyrazole and deuterated derivatives", SPECT ACT A, 56(8), 2000, pp. 1469-1498
41. Del Bene, JE; Perera, SA; Bartlett, RJ; Alkorta, I; Elguero, J
    (4h)J(P-31-P-31) coupling constants through N-H+-N hydrogen bonds: A comparsion of computed ab initio and experimental data
    JOURNAL OF PHYSICAL CHEMISTRY A
    
    J.E. Del Bene et al., "(4h)J(P-31-P-31) coupling constants through N-H+-N hydrogen bonds: A comparsion of computed ab initio and experimental data", J PHYS CH A, 104(31), 2000, pp. 7165-7166
42. Pardo, C; Yuste, M; Elguero, J
    Tetraimidazophthalocyanines
    JOURNAL OF PORPHYRINS AND PHTHALOCYANINES
    
    C. Pardo et al., "Tetraimidazophthalocyanines", J PORPHYR P, 4(5), 2000, pp. 505-509
43. Alkorta, I; Elguero, J
    Basicity and proton transfer in proton sponges and related compounds: An ab initio study
    STRUCTURAL CHEMISTRY
    
    I. Alkorta e J. Elguero, "Basicity and proton transfer in proton sponges and related compounds: An ab initio study", STRUCT CHEM, 11(6), 2000, pp. 335-340
44. Jimenez, JA; Claramunt, RM; Escolastico, C; Elguero, J
    Some considerations about the structure of 3(5)-methylpyrazole
    STRUCTURAL CHEMISTRY
    
    J.A. Jimenez et al., "Some considerations about the structure of 3(5)-methylpyrazole", STRUCT CHEM, 11(1), 2000, pp. 77-83
45. Alkorta, I; Gonzalez, E; Jagerovic, N; Elguero, J; Flammang, R
    Basicity of 1-nitroaryl-4,5-dihydropyrazoles: pK(a) measurements and theoretical calculations
    JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
    
    I. Alkorta et al., "Basicity of 1-nitroaryl-4,5-dihydropyrazoles: pK(a) measurements and theoretical calculations", J PHYS ORG, 13(7), 2000, pp. 372-381
46. Garcia, MA; Lopez, C; Peters, O; Claramunt, RM; Klein, O; Schagen, D; Limbach, HH; Foces-Foces, C; Elguero, J
    Triple proton transfer in crystalline 3,5-dibromo-1H-1,2,4-triazole and 3,5-dichloro-1H-1,2,4-triazole studied by variable-temperature N-15 NMR and ab initio calculations
    MAGNETIC RESONANCE IN CHEMISTRY
    
    M.A. Garcia et al., "Triple proton transfer in crystalline 3,5-dibromo-1H-1,2,4-triazole and 3,5-dichloro-1H-1,2,4-triazole studied by variable-temperature N-15 NMR and ab initio calculations", MAGN RES CH, 38(7), 2000, pp. 604-614
47. Alarcon, SH; Jimenez, JA; Claramunt, RM; Limbach, HH; Elguero, J
    Combined variable-temperature and variable-field N-15 cross-polarization magic angle spinning NMR study of N-15,N-14 residual dipolar coupling in pyrazole derivatives
    MAGNETIC RESONANCE IN CHEMISTRY
    
    S.H. Alarcon et al., "Combined variable-temperature and variable-field N-15 cross-polarization magic angle spinning NMR study of N-15,N-14 residual dipolar coupling in pyrazole derivatives", MAGN RES CH, 38(4), 2000, pp. 305-310
48. Trifonov, RE; Alkorta, I; Ostrovskii, VA; Elguero, J
    A theoretical study of the 1,2,3-triazolo-iminodiazomethane isomerism in the gas phase
    HETEROCYCLES
    
    R.E. Trifonov et al., "A theoretical study of the 1,2,3-triazolo-iminodiazomethane isomerism in the gas phase", HETEROCYCLE, 52(1), 2000, pp. 291-302
49. Alkorta, I; Barrios, L; Rozas, I; Elguero, J
    Comparison of models to correlate electron density at the bond critical point and bond distance
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    
    I. Alkorta et al., "Comparison of models to correlate electron density at the bond critical point and bond distance", J MOL ST-TH, 496, 2000, pp. 131-137
50. Foces-Foces, CN; Alkorta, I; Elguero, J
    Supramolecular structure of 1H-pyrazoles in the solid state: a crystallographic and ab initio study
    ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE
    
    C.N. Foces-Foces et al., "Supramolecular structure of 1H-pyrazoles in the solid state: a crystallographic and ab initio study", ACT CRYST B, 56, 2000, pp. 1018-1028
51. Foces-Foces, C; Jagerovic, N; Elguero, J
    Weak C-H center dot center dot center dot O and C-H center dot center dot center dot N interactions in nitropyrazoles
    ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
    
    C. Foces-Foces et al., "Weak C-H center dot center dot center dot O and C-H center dot center dot center dot N interactions in nitropyrazoles", ACT CRYST C, 56, 2000, pp. 215-218
52. Elguero, J; Katritzky, AR; Denisko, OV
    Prototropic tautomerism of heterocycles: Heteroaromatic tautomerism - General overview and methodology
    ADVANCES IN HETEROCYCLIC CHEMISTRY, VOL 76
    
    J. Elguero et al., "Prototropic tautomerism of heterocycles: Heteroaromatic tautomerism - General overview and methodology", ADV HETERO, 76, 2000, pp. 1-84
53. Friedrichsen, W; Traulsen, T; Elguero, J; Katritzky, AR
    Tautomerism of heterocycles: Five-membered rings with one heteroatom
    ADVANCES IN HETEROCYCLIC CHEMISTRY, VOL 76
    
    W. Friedrichsen et al., "Tautomerism of heterocycles: Five-membered rings with one heteroatom", ADV HETERO, 76, 2000, pp. 85-156
54. Minkin, VI; Garnovskii, AD; Elguero, J; Katritzky, AR; Denisko, OV
    The tautomerism of heterocycles: Five-membered rings with two or more heteroatoms
    ADVANCES IN HETEROCYCLIC CHEMISTRY, VOL 76
    
    V.I. Minkin et al., "The tautomerism of heterocycles: Five-membered rings with two or more heteroatoms", ADV HETERO, 76, 2000, pp. 157-323
55. Claramunt, RM; Elguero, J; Katritzky, AR
    Tautomerism involving other than five- and six-membered rings
    ADVANCES IN HETEROCYCLIC CHEMISTRY, VOL 77
    
    R.M. Claramunt et al., "Tautomerism involving other than five- and six-membered rings", ADV HETERO, 77, 2000, pp. 1-50
56. Shcherbakova, I; Elguero, J; Katritzky, AR
    Tautomerism of heterocycles: Condensed five-six, five-five, and six-six ring systems with heteroatoms in both rings
    ADVANCES IN HETEROCYCLIC CHEMISTRY, VOL 77
    
    I. Shcherbakova et al., "Tautomerism of heterocycles: Condensed five-six, five-five, and six-six ring systems with heteroatoms in both rings", ADV HETERO, 77, 2000, pp. 51-113
57. Pardo, C; Graf, S; Ramos, M; Sesmilo, E; Elguero, J
    Synthesis of 1-(p-nitrobenzyl)azoles and 1-(p-nitrobenzyl)benzazoles
    ORGANIC PREPARATIONS AND PROCEDURES INTERNATIONAL
    
    C. Pardo et al., "Synthesis of 1-(p-nitrobenzyl)azoles and 1-(p-nitrobenzyl)benzazoles", ORG PREP PR, 32(4), 2000, pp. 385-390
58. Foces-Foces, C; Trofimenko, S; Lopez, C; Maria, MDS; Claramunt, RM; Elguero, J
    The structure at 150 K of a highly disordered pyrazole: 3-trifluoromethyl-5-(2-thienyl)-pyrazole
    JOURNAL OF MOLECULAR STRUCTURE
    
    C. Foces-Foces et al., "The structure at 150 K of a highly disordered pyrazole: 3-trifluoromethyl-5-(2-thienyl)-pyrazole", J MOL STRUC, 526, 2000, pp. 59-64
59. Alkorta, I; Rozas, I; Elguero, J
    Effects of fluorine substitution on hydrogen bond interactions
    JOURNAL OF FLUORINE CHEMISTRY
    
    I. Alkorta et al., "Effects of fluorine substitution on hydrogen bond interactions", J FLUORINE, 101(2), 2000, pp. 233-238
60. da Silva, MAVR; da Silva, MDMCR; Matos, MAR; Jimenez, P; Roux, MV; Martin-Luengo, MA; Elguero, J; Claramunt, R; Cabildo, P
    Enthalpies of combustion, heat capacities, and enthalpies of vaporisation of 1-phenylimidazole and 1-phenylpyrazole
    JOURNAL OF CHEMICAL THERMODYNAMICS
    
    M.A.V.R. da Silva et al., "Enthalpies of combustion, heat capacities, and enthalpies of vaporisation of 1-phenylimidazole and 1-phenylpyrazole", J CHEM THER, 32(2), 2000, pp. 237-245
61. Gomez-de la Torre, F; de la Hoz, A; Jalon, FA; Manzano, BR; Rodriguez, AM; Elguero, J; Martinez-Ripoll, M
    Pd(II) complexes with polydentate nitrogen ligands. Molecular recognition and dynamic behavior involving Pd-N bond rupture. X-ray molecular structures of [{Pd(C6HF4)(2)}(bpzpm)] and [{Pd(eta(3)-C4H7)}(2)(bpzpm)] (CF3SO3)(2) [bpzpm=4,6-bis(pyrazol-1-yl)pyrimidine]
    INORGANIC CHEMISTRY
    
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62. Singh, SP; Kumar, D; Batra, H; Naithani, R; Rozas, I; Elguero, J
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    CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE
    
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63. Rozas, I; Alkorta, I; Elguero, J
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    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    
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64. Elguero, J; Foces-Foces, C; Sanz, D; Claramunt, RM
    Azolides: Structural aspects
    ADVANCES IN NITROGEN HETEROCYCLES, VOL 4
    
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65. Jimenez, JA; Claramunt, RM; Mo, O; Yanez, M; Wehrmann, F; Buntkowsky, G; Limbach, HH; Goddard, R; Elguero, J
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    PCCP PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    
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66. Boyer, G; Lormier, T; Galy, JP; Llamas-Saiz, AL; Foces-Foces, C; Fierros, M; Elguero, J; Virgili, A
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67. Foces-Foces, C; Fernandez-Castano, C; Claramunt, RM; Escolastico, C; Elguero, J
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    JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY
    
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68. Lazaro, R; Bouchet, P; Sole, R; Elguero, J; Sergent, M; Luu, RPT
    Aromatic photosubstitution, III. Application of the experimental design methodology to the study of the photocyanation of 1-nitronaphthalene
    ACH-MODELS IN CHEMISTRY
    
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69. Lazaro, R; Bouchet, P; Sole, R; Alkorta, I; Elguero, J
    Aromatic photosubstitution, IV. Photocyanation of aromatic compounds: Labelling experiments
    ACH-MODELS IN CHEMISTRY
    
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70. Lazaro, R; Bouchet, P; Sole, R; Elguero, J
    Aromatic photosubstitution, I. photocyanation of nitronaphthalenes
    ACH-MODELS IN CHEMISTRY
    
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71. Alkorta, I; Elguero, J
    Can aromaticity be described with a single parameter ? Benzene vs. cyclohexatriene
    NEW JOURNAL OF CHEMISTRY
    
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72. Goddard, R; Claramunt, RM; Escolastico, C; Elguero, J
    Structures of NH-pyrazoles bearing only C-methyl substituents: 4-methylpyrazole is a hydrogen-bonded trimer in the solid (100 K)
    NEW JOURNAL OF CHEMISTRY
    
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73. Alkorta, I; Elguero, J; Donnadieu, B; Etienne, M; Jaffart, J; Schagen, D; Limbach, HH
    The structure of 3,5-bis(trifluoromethyl)pyrazole in the gas phase and in the solid state
    NEW JOURNAL OF CHEMISTRY
    
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74. Mo, O; Yanez, M; Roux, MV; Jimenez, P; Davalos, JZ; da Silva, MAVR; da Silva, MDMCR; Matos, MAR; Amaral, LMPF; Sanchez-Migallon, A; Cabildo, P; Claramunt, R; Elguero, J; Liebman, JF
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    JOURNAL OF PHYSICAL CHEMISTRY A
    
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75. Rozas, I; Alkorta, I; Elguero, J
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76. Alkorta, I; Elguero, J
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77. Alkorta, I; Elguero, J
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    STRUCTURAL CHEMISTRY
    
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78. Sanz, D; Ponce, MA; Claramunt, RM; Fernandez-Castano, C; Foces-Foces, C; Elguero, J
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79. Abboud, JLM; Notario, R; Yanez, M; Mo, O; Flammang, R; Jagerovic, N; Alkorta, I; Elguero, J
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80. Quiroga, J; Insuasty, B; Hormaza, A; Cabildo, P; Claramunt, RM; Elguero, J
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81. Foces-Foces, C; Saiz, ALL; Elguero, J
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82. Claramunt, RM; Forfar, I; Cabildo, P; Lafuente, J; Barbera, J; Gimenez, R; Elguero, J
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83. Silva, AMS; Vieira, JS; Cavaleiro, JAS; Patonay, T; Levai, A; Elguero, J
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84. Claramunt, RM; Alkorta, I; Elguero, J
    Fluoropyrazoles: An ab initio study
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85. Infantes, L; Foces-Foces, C; Claramunt, RM; Lopez, C; Jagerovic, N; Elguero, J
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86. Yranzo, GI; Moyano, EL; Rozas, I; Dardonville, C; Elguero, J
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87. Infantes, L; Foces-Foces, C; Elguero, J
    3(5),4-Dimethyl- and 3,4,5-trimethylpyrazole at 200 K. X-ray crystallography and quantum-chemical analysis
    ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE
    
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88. Foces-Foces, C; Cabildo, P; Claramunt, RM; Elguero, J
    4-(1H-1,2,4-triazol-1-yl)phenol
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89. Foces-Foces, C; Llamas-Saiz, AL; Elguero, J
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90. Cabildo, P; Sanz, D; Claramunt, RM; Bourne, SA; Alkorta, I; Elguero, J
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91. Pinto, DCGA; Silva, AMS; Cavaleiro, JAS; Foces-Foces, C; Llamas-Saiz, AL; Jagerovic, N; Elguero, J
    Synthesis and molecular structure of 3-(2-benzyloxy-6-hydroxyphenyl)-5-styrylpyrazoles. Reaction of 2-styrylchromones and hydrazine hydrate
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92. Llamas-Saiz, AL; Foces-Foces, C; Fontenas, C; Jagerovic, N; Elguero, J
    The search for proton mobility in solid pyrazoles: molecular and crystal structure of 3(5)-phenyl-4-bromo-5(3)-methylpyrazole
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93. Llamas-Saiz, AL; Foces-Foces, C; Sobrados, I; Jagerovic, N; Elguero, J
    A structural study of pyrazole-1-carboxamides by X-ray crystallography andC-13 CPMAS NMR spectroscopy
    JOURNAL OF MOLECULAR STRUCTURE
    
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94. Santa Maria, MD; Cornago, P; Claramunt, RM; Elguero, J; Fernandez-Castano, C; Foces-Foces, C
    Aromatic propellenes. Part 10. Conformational study of hexa(imidazol-1-yl)benzene and hexakis(2-methylimidazol-1-yl)benzene by means of NMR and AM1 calculations
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95. Diez-Barra, E; de la Hoz, A; Sanchez-Migallon, A; Elguero, J
    Quaternization and dequaternization of pyrazoles in solvent-free conditions: Conventional heating versus microwave irradiation
    JOURNAL OF HETEROCYCLIC CHEMISTRY
    
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96. Klein, O; Bonvehi, MM; Aguilar-Parrilla, F; Jagerovic, N; Elguero, J; Limbach, HH
    Hydrogen bond compression during triple proton transfer in crystalline pyrazoles. A dynamic N-15 NMR study
    ISRAEL JOURNAL OF CHEMISTRY
    
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97. Hager, O; Llamas-Saiz, AL; Foces-Foces, C; Claramunt, RM; Lopez, C; Elguero, J
    Complexes between 1,1 '-binaphthyl-2,2 '-dicarboxylic acid and pyrazoles: A case of manual sorting of conglomerate crystals (triage)
    HELVETICA CHIMICA ACTA
    
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98. Alkorta, I; Rozas, I; Elguero, J
    How strong are the complexes between methane radical cation and noble gas atoms?
    CHEMICAL PHYSICS LETTERS
    
    I. Alkorta et al., "How strong are the complexes between methane radical cation and noble gas atoms?", CHEM P LETT, 311(3-4), 1999, pp. 281-291
99. SILVA AMS; PINTO DCGA; TAVARES HR; CAVALEIRO JAS; JIMENO ML; ELGUERO J
    NOVEL (E)-2-STYRYLCHROMONES AND (Z)-2-STYRYLCHROMONES FROM (E,E)-2'-HYDROXYCINNAMYLIDENEACETOPHENONES - XANTHONES FROM DAYLIGHT PHOTOOXIDATIVE CYCLIZATION OF (E)-2-STYRYLCHROMONES
    EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
    
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100. ALKORTA I; ROZAS I; ELGUERO J
     ISOCYANIDES AS HYDROGEN-BOND ACCEPTORS
     Theoretical chemistry accounts
     
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