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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
    2. Mo, O; Yanez, M; Gonzalez, L; Elguero, J
      Spontaneous self-ionization in the gas phase: A theoretical prediction

      CHEMPHYSCHEM
    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
    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
    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
    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
    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
    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
    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
    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
    11. Alkorta, I; Rozas, I; Elguero, J
      Molecular complexes between silicon derivatives and electron-rich groups

      JOURNAL OF PHYSICAL CHEMISTRY A
    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
    13. Alkorta, I; Rozas, I; Jimeno, ML; Elguero, J
      A theoretical and experimental study of the interaction of C6F6 with electron donors

      STRUCTURAL CHEMISTRY
    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
    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
    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
    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
    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
    19. Alkorta, I; Rozas, I; Elguero, J
      Transition metals as hydrogen bond acceptors: a theoretical study

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    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
    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
    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
    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
    24. Alkorta, I; Elguero, J; Fruchier, A; Macquarrie, DJ; Virgili, A
      Aminopropylsilances versus silatranes: an experimental and theoretical study

      JOURNAL OF ORGANOMETALLIC CHEMISTRY
    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
    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
    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
    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
    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
    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
    31. Flammang, R; Barbieux-Flammang, M; Le, HT; Gerbaux, P; Elguero, J; Nguyen, MT
      Collisional activation of protonated C-halogenopyrazoles

      CHEMICAL PHYSICS LETTERS
    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
    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
    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
    35. Claramunt, RM; Escolastico, C; Elguero, J
      Addition of 3(5)-methylpyrazole to p-benzoquinone

      ARKIVOC
    36. Claramunt, RM; Escolastico, C; Elguero, J
      Methylation of (1-azolyl)-1,4-dihydroxybenzenes

      ARKIVOC
    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
    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
    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
    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
    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
    42. Pardo, C; Yuste, M; Elguero, J
      Tetraimidazophthalocyanines

      JOURNAL OF PORPHYRINS AND PHTHALOCYANINES
    43. Alkorta, I; Elguero, J
      Basicity and proton transfer in proton sponges and related compounds: An ab initio study

      STRUCTURAL CHEMISTRY
    44. Jimenez, JA; Claramunt, RM; Escolastico, C; Elguero, J
      Some considerations about the structure of 3(5)-methylpyrazole

      STRUCTURAL CHEMISTRY
    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
    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
    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
    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
    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
    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
    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
    52. Elguero, J; Katritzky, AR; Denisko, OV
      Prototropic tautomerism of heterocycles: Heteroaromatic tautomerism - General overview and methodology

      ADVANCES IN HETEROCYCLIC CHEMISTRY, VOL 76
    53. Friedrichsen, W; Traulsen, T; Elguero, J; Katritzky, AR
      Tautomerism of heterocycles: Five-membered rings with one heteroatom

      ADVANCES IN HETEROCYCLIC CHEMISTRY, VOL 76
    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
    55. Claramunt, RM; Elguero, J; Katritzky, AR
      Tautomerism involving other than five- and six-membered rings

      ADVANCES IN HETEROCYCLIC CHEMISTRY, VOL 77
    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
    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
    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
    59. Alkorta, I; Rozas, I; Elguero, J
      Effects of fluorine substitution on hydrogen bond interactions

      JOURNAL OF FLUORINE CHEMISTRY
    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
    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
    62. Singh, SP; Kumar, D; Batra, H; Naithani, R; Rozas, I; Elguero, J
      The reaction between hydrazines and beta-dicarbonyl compounds: proposal for a mechanism

      CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE
    63. Rozas, I; Alkorta, I; Elguero, J
      Behavior of ylides containing N, O, and C atoms as hydrogen bond accepters

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    64. Elguero, J; Foces-Foces, C; Sanz, D; Claramunt, RM
      Azolides: Structural aspects

      ADVANCES IN NITROGEN HETEROCYCLES, VOL 4
    65. Jimenez, JA; Claramunt, RM; Mo, O; Yanez, M; Wehrmann, F; Buntkowsky, G; Limbach, HH; Goddard, R; Elguero, J
      The structure of N-aminopyrazole in the solid state and in solution: an experimental and computational study

      PCCP PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    66. Boyer, G; Lormier, T; Galy, JP; Llamas-Saiz, AL; Foces-Foces, C; Fierros, M; Elguero, J; Virgili, A
      X-ray crystallography at 170 K of racemic 2,2 '-dimethoxy-9,9 '-biacridineand H-1 NMR study of 2,2 '-diacetoxy-9,9 '-biacridine

      MOLECULES
    67. Foces-Foces, C; Fernandez-Castano, C; Claramunt, RM; Escolastico, C; Elguero, J
      Host-guest properties of the aromatic propellene 1,4-bis(pyrazol-1 '-yl)-2,3,5,6-tetrakis(3 '',5 ''-dimethylpyrazol-1 ''-yl)benzene

      JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY
    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
    69. Lazaro, R; Bouchet, P; Sole, R; Alkorta, I; Elguero, J
      Aromatic photosubstitution, IV. Photocyanation of aromatic compounds: Labelling experiments

      ACH-MODELS IN CHEMISTRY
    70. Lazaro, R; Bouchet, P; Sole, R; Elguero, J
      Aromatic photosubstitution, I. photocyanation of nitronaphthalenes

      ACH-MODELS IN CHEMISTRY
    71. Alkorta, I; Elguero, J
      Can aromaticity be described with a single parameter ? Benzene vs. cyclohexatriene

      NEW JOURNAL OF CHEMISTRY
    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
    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
    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
      Enthalpies of formation of N-substituted pyrazoles and imidazoles

      JOURNAL OF PHYSICAL CHEMISTRY A
    75. Rozas, I; Alkorta, I; Elguero, J
      Monohydride and monofluoride derivatives of B, Al, N and P. Theoretical study of their ability as hydrogen bond accepters

      JOURNAL OF PHYSICAL CHEMISTRY A
    76. Alkorta, I; Elguero, J
      Theoretical study of strong hydrogen bonds between neutral molecules: The case of amine oxides and phosphine oxides as hydrogen bond acceptors

      JOURNAL OF PHYSICAL CHEMISTRY A
    77. Alkorta, I; Elguero, J
      A general equation holds for the geometry of hydrogen bonds with O and N acceptors

      STRUCTURAL CHEMISTRY
    78. Sanz, D; Ponce, MA; Claramunt, RM; Fernandez-Castano, C; Foces-Foces, C; Elguero, J
      Synthesis and structural studies of symmetric and unsymmetric adamantylmethyleneazines

      JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
    79. Abboud, JLM; Notario, R; Yanez, M; Mo, O; Flammang, R; Jagerovic, N; Alkorta, I; Elguero, J
      4-Nitropyrazole: a nitrogen or an oxygen base in the gas phase?

      JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
    80. Quiroga, J; Insuasty, B; Hormaza, A; Cabildo, P; Claramunt, RM; Elguero, J
      Synthesis, molecular structure and tautomerism of 1(2)H-dihydropyrazolo[3,4-b]pyridin-6-ones

      HETEROCYCLIC COMMUNICATIONS
    81. Foces-Foces, C; Saiz, ALL; Elguero, J
      The structure of N-acetylazoles (azolides): A semiempirical (AM1) computational study

      HETEROCYCLIC COMMUNICATIONS
    82. Claramunt, RM; Forfar, I; Cabildo, P; Lafuente, J; Barbera, J; Gimenez, R; Elguero, J
      Synthesis and mesogenic properties of Schiff bases derived from aminopyrazoles

      HETEROCYCLES
    83. Silva, AMS; Vieira, JS; Cavaleiro, JAS; Patonay, T; Levai, A; Elguero, J
      New syntheses of 4(5)-aryl-5(4)-(2-chromonyl)-1,2,3-triazoles from 2-styrylchromones and sodium azide

      HETEROCYCLES
    84. Claramunt, RM; Alkorta, I; Elguero, J
      Fluoropyrazoles: An ab initio study

      HETEROCYCLES
    85. Infantes, L; Foces-Foces, C; Claramunt, RM; Lopez, C; Jagerovic, N; Elguero, J
      Packing modes in eight 3-ethoxycarbonylpyrazole derivatives. Influence of the substituents on the crystal structure and annular tautomerism

      HETEROCYCLES
    86. Yranzo, GI; Moyano, EL; Rozas, I; Dardonville, C; Elguero, J
      An experimental (flash vacuum pyrolysis) and theoretical study of the tautomerism of pyrazolinones at high temperatures

      JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
    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
    88. Foces-Foces, C; Cabildo, P; Claramunt, RM; Elguero, J
      4-(1H-1,2,4-triazol-1-yl)phenol

      ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
    89. Foces-Foces, C; Llamas-Saiz, AL; Elguero, J
      Crystal structures of two 4-bromopyrazole derivatives

      ZEITSCHRIFT FUR KRISTALLOGRAPHIE
    90. Cabildo, P; Sanz, D; Claramunt, RM; Bourne, SA; Alkorta, I; Elguero, J
      Synthesis and structural studies of some [1(4)]paracyclo-bis-(1,2)pyrazolium- and (1,3)imidazolium-phanes

      TETRAHEDRON
    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

      TETRAHEDRON
    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

      JOURNAL OF MOLECULAR STRUCTURE
    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
    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

      JOURNAL OF MOLECULAR STRUCTURE
    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
    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
    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
    98. Alkorta, I; Rozas, I; Elguero, J
      How strong are the complexes between methane radical cation and noble gas atoms?

      CHEMICAL PHYSICS LETTERS
    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
    100. ALKORTA I; ROZAS I; ELGUERO J
      ISOCYANIDES AS HYDROGEN-BOND ACCEPTORS

      Theoretical chemistry accounts


ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 26/01/21 alle ore 12:44:16