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Results: 1-25/106
Authors:
Alkorta, I
Rozas, I
Elguero, J
Citation: 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
Authors:
Claramunt, RM
Escolastico, C
Elguero, J
Citation: Rm. Claramunt et al., Addition of 3(5)-methylpyrazole to p-benzoquinone, ARKIVOC, 2, 2001, pp. 965-970
Authors:
Claramunt, RM
Escolastico, C
Elguero, J
Citation: Rm. Claramunt et al., Methylation of (1-azolyl)-1,4-dihydroxybenzenes, ARKIVOC, 2, 2001, pp. 1018-1026
Authors:
Mo, O
Yanez, M
Gonzalez, L
Elguero, J
Citation: O. Mo et al., Spontaneous self-ionization in the gas phase: A theoretical prediction, CHEMPHYSCHE, 2(7), 2001, pp. 465-467
Authors:
Abboud, JLM
Foces-Foces, C
Notario, R
Trifonov, RE
Volovodenko, AP
Ostrovskii, VA
Alkorta, I
Elguero, J
Citation: Jlm. 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
Authors:
Yranzo, GI
Elguero, J
Flammang, R
Wentrup, C
Citation: Gi. 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
Authors:
Claramunt, RM
Sanz, D
Alarcon, SH
Torralba, MP
Elguero, J
Foces-Foces, C
Pietrzak, M
Langer, U
Limbach, HH
Citation: Rm. 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
Authors:
Elguero, J
Guerrero, A
de la Torre, FG
de la Hoz, A
Jalon, FA
Manzano, BR
Rodriguez, A
Citation: 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
Authors:
Claramunt, RM
Lopez, C
Garcia, MA
Otero, MD
Torres, MR
Pinilla, E
Alarcon, SH
Akorta, I
Elguero, J
Citation: Rm. 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
Authors:
Trofimenko, S
Rheingold, AL
Liable-Sands, LM
Claramunt, RM
Lopez, C
Santa Maria, MD
Elguero, J
Citation: 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
Authors:
Moreno-Manas, M
Sebastian, RM
Vallribera, A
Piniella, JF
Alvarez-Larena, A
Jimeno, ML
Elguero, J
Citation: 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
Authors:
Rozas, I
Alkorta, I
Elguero, J
Citation: 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
Authors:
Alkorta, I
Rozas, I
Elguero, J
Citation: I. Alkorta et al., Molecular complexes between silicon derivatives and electron-rich groups, J PHYS CH A, 105(4), 2001, pp. 743-749
Authors:
Alkorta, I
Rozas, I
Mo, O
Yanez, M
Elguero, J
Citation: 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
Authors:
Alkorta, I
Rozas, I
Jimeno, ML
Elguero, J
Citation: 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
Authors:
Notario, R
Castano, O
Andres, JL
Elguero, J
Maier, G
Hermann, C
Citation: 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
Authors:
Pietrzak, M
Limbach, HH
Perez-Torralba, M
Sanz, D
Claramunt, RM
Elguero, J
Citation: 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
Authors:
Milata, V
Claramunt, RM
Cabildo, P
Santa Maria, MD
Cornago, P
Infantes, L
Cano, FH
Elguero, J
Citation: 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
Authors:
Claramunt, RM
Lopez, C
Sanz, D
Alkorta, I
Elguero, J
Citation: Rm. 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
Authors:
Sanchez-Andrada, P
Alkorta, I
Elguero, J
Citation: 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
Authors:
Alkorta, I
Rozas, I
Elguero, J
Citation: I. Alkorta et al., Transition metals as hydrogen bond acceptors: a theoretical study, J MOL ST-TH, 537, 2001, pp. 139-150
Authors:
Foces-Foces, C
Jagerovic, N
Elguero, J
Citation: 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
Unexpected formation of bis-pyrazolyl derivatives by solid support coupledwith microwave irradiation
Authors:
Esteves-Souza, A
Echevarria, A
Vencato, I
Jimeno, ML
Elguero, J
Citation: A. Esteves-souza et al., Unexpected formation of bis-pyrazolyl derivatives by solid support coupledwith microwave irradiation, TETRAHEDRON, 57(29), 2001, pp. 6147-6153
Authors:
Alkorta, I
Rozas, I
Elguero, J
Citation: 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
Authors:
de la Hoz, A
Diaz-Ortiz, A
Elguero, J
Martinez, LJ
Moreno, A
Sanchez-Migallon, A
Citation: A. De La Hoz et al., Solvent-free preparation of tris-pyrazolyl-1,3,5-triazines, TETRAHEDRON, 57(20), 2001, pp. 4397-4403