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Results: 26-50/106
Authors:
Alkorta, I
Elguero, J
Fruchier, A
Macquarrie, DJ
Virgili, A
Citation: I. Alkorta et al., Aminopropylsilances versus silatranes: an experimental and theoretical study, J ORGMET CH, 625(2), 2001, pp. 148-153
Authors:
Pardo, C
Sesmilo, E
Gutierrez-Puebla, E
Monge, A
Elguero, J
Fruchier, A
Citation: C. Pardo et al., New chiral molecular tweezers with a bis-Troger's base skeleton, J ORG CHEM, 66(5), 2001, pp. 1607-1611
Authors:
Pardo, C
Sesmilo, E
Gutierrez-Puebla, E
Monge, A
Elguero, J
Fruchier, A
Citation: 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
Authors:
Silva, AMS
Alkorta, I
Elguero, J
Silva, VLM
Citation: Ams. 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
Authors:
Ochando, LE
Amigo, JM
Rius, J
Louer, D
Fontenas, C
Elguero, J
Citation: Le. 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
Authors:
Patellis, AM
Galy, JP
Kister, J
Chicheportiche, R
Elguero, J
Citation: Am. Patellis et al., Absorption and fluorescence properties of acridinones, thioacridinones, aminoacridines and related crown ethers, J HETERO CH, 38(5), 2001, pp. 1113-1118
Authors:
Claramunt, RM
Sanz, D
Alkorta, I
Elguero, J
Foces-Foces, C
Llamas-Saiz, AL
Citation: Rm. Claramunt et al., Ab initio study of azolides: Energetic and spectroscopic properties, J HETERO CH, 38(2), 2001, pp. 443-450
Authors:
Flammang, R
Barbieux-Flammang, M
Le, HT
Gerbaux, P
Elguero, J
Nguyen, MT
Citation: R. Flammang et al., Collisional activation of protonated C-halogenopyrazoles, CHEM P LETT, 347(4-6), 2001, pp. 465-472
Authors:
Espinosa, E
Alkorta, I
Rozas, I
Elguero, J
Molins, E
Citation: 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
Authors:
Foces-Foces, C
Echevarria, A
Jagerovic, N
Alkorta, I
Elguero, J
Langer, U
Klein, O
Minguet-Bonvehi, M
Limbach, HH
Citation: 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
Authors:
Pietrzak, M
Wehling, J
Limbach, HH
Golubev, NS
Lopez, C
Claramunt, RM
Elguero, J
Citation: 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
Authors:
Claramunt, RM
Lopez, C
Garcia, MD
Pierrot, M
Giorgi, M
Elguero, J
Citation: Rm. Claramunt et al., 3(5)-(1-Adamantyl)pyrazoles: chemistry and molecular structure, J CHEM S P2, (10), 2000, pp. 2049-2053
Authors:
Pinto, DCGA
Silva, AMS
Levai, A
Cavaleiro, JAS
Patonay, T
Elguero, J
Citation: Dcga. 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
Authors:
Ugalde, JM
Alkorta, I
Elguero, J
Citation: Jm. 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
Authors:
Orza, JM
Garcia, MV
Alkorta, I
Elguero, J
Citation: Jm. Orza et al., Vibrational spectra of 3,5-dimethylpyrazole and deuterated derivatives, SPECT ACT A, 56(8), 2000, pp. 1469-1498
Authors:
Del Bene, JE
Perera, SA
Bartlett, RJ
Alkorta, I
Elguero, J
Citation: Je. 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
Authors:
Pardo, C
Yuste, M
Elguero, J
Citation: C. Pardo et al., Tetraimidazophthalocyanines, J PORPHYR P, 4(5), 2000, pp. 505-509
Authors:
Alkorta, I
Elguero, J
Citation: I. Alkorta et J. Elguero, Basicity and proton transfer in proton sponges and related compounds: An ab initio study, STRUCT CHEM, 11(6), 2000, pp. 335-340
Authors:
Jimenez, JA
Claramunt, RM
Escolastico, C
Elguero, J
Citation: Ja. Jimenez et al., Some considerations about the structure of 3(5)-methylpyrazole, STRUCT CHEM, 11(1), 2000, pp. 77-83
Authors:
Alkorta, I
Gonzalez, E
Jagerovic, N
Elguero, J
Flammang, R
Citation: 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
Authors:
Garcia, MA
Lopez, C
Peters, O
Claramunt, RM
Klein, O
Schagen, D
Limbach, HH
Foces-Foces, C
Elguero, J
Citation: Ma. 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
Authors:
Alarcon, SH
Jimenez, JA
Claramunt, RM
Limbach, HH
Elguero, J
Citation: Sh. 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
Authors:
Trifonov, RE
Alkorta, I
Ostrovskii, VA
Elguero, J
Citation: Re. 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
Authors:
Alkorta, I
Barrios, L
Rozas, I
Elguero, J
Citation: 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
Authors:
Foces-Foces, CN
Alkorta, I
Elguero, J
Citation: Cn. 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