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Results: 1-25 | 26-28
Results: 1-25/28
The enthalpy of formation of dibenzofuran and some related oxygen-containing heterocycles in the gas phase. A GAUSSIAN-3 theoretical study
Authors: Notario, R Roux, MV Castano, O
Citation: R. Notario et al., The enthalpy of formation of dibenzofuran and some related oxygen-containing heterocycles in the gas phase. A GAUSSIAN-3 theoretical study, PHYS CHEM P, 3(17), 2001, pp. 3717-3721
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
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
An experimental and theoretical study of the basicity of tetra-tert-butyltetrahedrane
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
Ab initio calculations of the thermolysis reaction of beta-hydroxyalkynes in the gas phase
Authors: Quijano, J Sanchez, C David, J Rincon, E Leon, LA Notario, R Abboud, JLM
Citation: J. Quijano et al., Ab initio calculations of the thermolysis reaction of beta-hydroxyalkynes in the gas phase, J MOL ST-TH, 572, 2001, pp. 135-139
Femoral aneurysm infected by Campylobacter fetus
Authors: Bagilet, D Notario, R Busnelli, L Bertoletti, F
Citation: D. Bagilet et al., Femoral aneurysm infected by Campylobacter fetus, MED CLIN, 116(6), 2001, pp. 237-237
Influence of alkyl sulbstitution on the gas-phase stability of 1-adamantylcation and on the solvent effects in the solvolysis of 1-bromoadamantane
Authors: Takeuchi, K Okazaki, T Kitagawa, T Ushino, T Ueda, K Endo, T Notario, R
Citation: K. Takeuchi et al., Influence of alkyl sulbstitution on the gas-phase stability of 1-adamantylcation and on the solvent effects in the solvolysis of 1-bromoadamantane, J ORG CHEM, 66(6), 2001, pp. 2034-2043
Calorimetric and computational study of 1,3,5-trithiane
Authors: Roux, MV Jimenez, P Davalos, JZ Notario, R Juaristi, E
Citation: Mv. Roux et al., Calorimetric and computational study of 1,3,5-trithiane, J ORG CHEM, 66(16), 2001, pp. 5343-5351
Strainless reference states for poly- and perfluorocycloalkanes: the ultradiagonal strain energy approach
Authors: Roux, MV Notario, R Zeiger, DN Liebman, JF
Citation: Mv. Roux et al., Strainless reference states for poly- and perfluorocycloalkanes: the ultradiagonal strain energy approach, J FLUORINE, 112(1), 2001, pp. 91-94
The valence isomerization of cyclooctatetraene to semibullvalene
Authors: Castano, O Frutos, LM Palmeiro, R Notario, R Andres, JL Gomperts, R Blancafort, L Robb, MA
Citation: O. Castano et al., The valence isomerization of cyclooctatetraene to semibullvalene, ANGEW CHEM, 39(12), 2000, pp. 2095
Revised and expanded scale of gas-phase lithium cation basicities. An experimental and theoretical study
Authors: Burk, P Koppel, IA Koppel, I Kurg, R Gal, JF Maria, PC Herreros, M Notario, R Abboud, JLM Anvia, F Taft, RW
Citation: P. Burk et al., Revised and expanded scale of gas-phase lithium cation basicities. An experimental and theoretical study, J PHYS CH A, 104(12), 2000, pp. 2824-2833
Animal reservoir and genotipic characterization of Enterohemorrhagic Escherichia coli (EHEC) in Argentina
Authors: Notario, R Fain, JC Prado, V Rios, M Borda, N Gambande, T
Citation: R. Notario et al., Animal reservoir and genotipic characterization of Enterohemorrhagic Escherichia coli (EHEC) in Argentina, REV MED CHI, 128(12), 2000, pp. 1335-1341
Organic thermochemistry at high ab initio levels. 3. A G3 study of cyclic saturated and unsaturated hydrocarbons (including aromatics)
Authors: Notario, R Castano, O Gomperts, R Frutos, LM Palmeiro, R
Citation: R. Notario et al., Organic thermochemistry at high ab initio levels. 3. A G3 study of cyclic saturated and unsaturated hydrocarbons (including aromatics), J ORG CHEM, 65(14), 2000, pp. 4298-4302
Medium effects on the ionization of the acidic sites of bifunctional organic molecules: the case of 4-hydroxybenzoic acid
Authors: Notario, R
Citation: R. Notario, Medium effects on the ionization of the acidic sites of bifunctional organic molecules: the case of 4-hydroxybenzoic acid, J MOL STRUC, 556(1-3), 2000, pp. 245-252
Experimental and theoretical evaluation of energetics for nucleophilic solvent participation in the solvolysis of tertiary alkyl chlorides on the basis of gas phase bridgehead carbocation stabilities
Authors: Takeuchi, K Takasuka, M Shiba, E Kinoshita, T Okazaki, T Abboud, JLM Notario, R Castano, O
Citation: K. Takeuchi et al., Experimental and theoretical evaluation of energetics for nucleophilic solvent participation in the solvolysis of tertiary alkyl chlorides on the basis of gas phase bridgehead carbocation stabilities, J AM CHEM S, 122(30), 2000, pp. 7351-7357
The P-4 center dot center dot center dot Li+ ion in the gas phase: A planetary system
Authors: Abboud, JLM Alkorta, I Davalos, JZ Gal, JF Herreros, M Maria, PC Mo, O Molina, MT Notario, R Yanez, M
Citation: Jlm. Abboud et al., The P-4 center dot center dot center dot Li+ ion in the gas phase: A planetary system, J AM CHEM S, 122(18), 2000, pp. 4451-4454
An experimental and theoretical study on some thiocarbonyl-I-2 molecular complexes
Authors: Esseffar, M Bouab, W Lamsabhi, A Abboud, JLM Notario, R Yanez, M
Citation: M. Esseffar et al., An experimental and theoretical study on some thiocarbonyl-I-2 molecular complexes, J AM CHEM S, 122(10), 2000, pp. 2300-2308
The standard enthalpy of formation of the 1-adamantyl cation in the gas phase. An experimental and ab initio reassessment (vol 103, pg 7555, 1999)
Authors: Flores, H Davalos, JZ Abboud, JLM Castano, O Gomperts, R Jimenez, P Notario, R Roux, MV
Citation: H. Flores et al., The standard enthalpy of formation of the 1-adamantyl cation in the gas phase. An experimental and ab initio reassessment (vol 103, pg 7555, 1999), J PHYS CH A, 103(44), 1999, pp. 8908-8908
The standard enthalpy of formation of the 1-adamantyl cation in the gas phase. An experimental and ab initio re-assessment
Authors: Flores, H Davalos, JZ Abboud, JLM Castano, O Gomperts, R Jimenez, P Notario, R Roux, MV
Citation: H. Flores et al., The standard enthalpy of formation of the 1-adamantyl cation in the gas phase. An experimental and ab initio re-assessment, J PHYS CH A, 103(38), 1999, pp. 7555-7557
4-Nitropyrazole: a nitrogen or an oxygen base in the gas phase?
Authors: Abboud, JLM Notario, R Yanez, M Mo, O Flammang, R Jagerovic, N Alkorta, I Elguero, J
Citation: Jlm. Abboud et al., 4-Nitropyrazole: a nitrogen or an oxygen base in the gas phase?, J PHYS ORG, 12(10), 1999, pp. 787-795
Critical compilation of scales of solvent parameters. Part I. Pure, non-hydrogen bond donor solvents - Technical report
Authors: Abboud, JLM Notario, R
Citation: Jlm. Abboud et R. Notario, Critical compilation of scales of solvent parameters. Part I. Pure, non-hydrogen bond donor solvents - Technical report, PUR A CHEM, 71(4), 1999, pp. 645-718
Calorimetric, computational (G2(MP2) and G3) and conceptual study of the energetics of the isomeric 1,3-and 1,4-dithianes
Authors: Davalos, JZ Flores, H Jimenez, P Notario, R Roux, MV Juaristi, E Hosmane, RS Liebman, JF
Citation: Jz. Davalos et al., Calorimetric, computational (G2(MP2) and G3) and conceptual study of the energetics of the isomeric 1,3-and 1,4-dithianes, J ORG CHEM, 64(26), 1999, pp. 9328-9336
Organic thermochemistry at high ab initio levels. 1. A G2(MP2) and G2 study of cyclic saturated and unsaturated hydrocarbons (including aromatics)
Authors: Notario, R Castano, O Abboud, JLM Gomperts, R Frutos, LM Palmeiro, R
Citation: R. Notario et al., Organic thermochemistry at high ab initio levels. 1. A G2(MP2) and G2 study of cyclic saturated and unsaturated hydrocarbons (including aromatics), J ORG CHEM, 64(25), 1999, pp. 9011-9014
Organic thermochemistry at high ab initio levels. 2. Meeting the challenge: Standard heats of formation of gaseous norbornane, 2-norbornene, 2,5-norbornadiene, cubane, and adamantane at the G2 level
Authors: Castano, O Notario, R Abboud, JLM Gomperts, R Palmeiro, R Frutos, LM
Citation: O. Castano et al., Organic thermochemistry at high ab initio levels. 2. Meeting the challenge: Standard heats of formation of gaseous norbornane, 2-norbornene, 2,5-norbornadiene, cubane, and adamantane at the G2 level, J ORG CHEM, 64(25), 1999, pp. 9015-9018
The stability of bridgehead carbocations
Authors: Abboud, JLM Herreros, M Notario, R Lomas, JS Mareda, J Muller, P Rossier, JC
Citation: Jlm. Abboud et al., The stability of bridgehead carbocations, J ORG CHEM, 64(17), 1999, pp. 6401-6410
Thermochemistry of neutral and protonated 1,7,7-trimethylbicyclo[2.2.1]heptan-2-thione (thiocamphor)
Authors: Roux, MV Jimenez, P Davalos, JZ Notario, R Abboud, JLM
Citation: Mv. Roux et al., Thermochemistry of neutral and protonated 1,7,7-trimethylbicyclo[2.2.1]heptan-2-thione (thiocamphor), J CHEM THER, 31(11), 1999, pp. 1457-1467
Risultati: 1-25 | 26-28