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Results: 1-15 |
Results: 15
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
Ab initio based exploration of the potential energy surface for the doubleproton transfer in the first excited singlet electronic state of the 7-azaindole dimer
Authors: Moreno, M Douhal, A Lluch, JM Castano, O Frutos, LM
Citation: M. Moreno et al., Ab initio based exploration of the potential energy surface for the doubleproton transfer in the first excited singlet electronic state of the 7-azaindole dimer, J PHYS CH A, 105(15), 2001, pp. 3887-3893
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
Phase diagram at low temperature of the system ZrO2/Nb2O5
Authors: Mestres, L Martinez-Sarrion, ML Castano, O Fernandez-Urban, J
Citation: L. Mestres et al., Phase diagram at low temperature of the system ZrO2/Nb2O5, Z ANORG A C, 627(2), 2001, pp. 294-298
The standard enthalpies of formation of 1-and 2-Adamantyl cations and radicals. An ab initio study
Authors: Abboud, JLM Castano, O Davalos, JZ Gomperts, R
Citation: Jlm. Abboud et al., The standard enthalpies of formation of 1-and 2-Adamantyl cations and radicals. An ab initio study, CHEM P LETT, 337(4-6), 2001, pp. 327-330
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
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
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 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
2-Alkoxycarbonylpyridinium N-aminides: 1,3-dipoles or 1,4-nucleophile-electrophile synthons? Experimental and theoretical evidence for the mechanism of pyrido[1,2-b] pyridazinium inner salt formation
Authors: Valenciano, J Cuadro, AM Vaquero, JJ Alvarez-Builla, J Palmeiro, R Castano, O
Citation: J. Valenciano et al., 2-Alkoxycarbonylpyridinium N-aminides: 1,3-dipoles or 1,4-nucleophile-electrophile synthons? Experimental and theoretical evidence for the mechanism of pyrido[1,2-b] pyridazinium inner salt formation, J ORG CHEM, 64(25), 1999, pp. 9001-9010
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
Pyrrolodiazines. 5. Synthesis, structure, and chemistry of pyrrolo[1,2-c]pyrimidine. Dipolar cycloaddition of pyrrolo[1,2-c]pyrimidinium ylides
Authors: Minguez, JM Vaquero, JJ Alvarez-Builla, J Castano, O Andres, JL
Citation: Jm. Minguez et al., Pyrrolodiazines. 5. Synthesis, structure, and chemistry of pyrrolo[1,2-c]pyrimidine. Dipolar cycloaddition of pyrrolo[1,2-c]pyrimidinium ylides, J ORG CHEM, 64(21), 1999, pp. 7788-7801
Thermodynamic stability of trichlorocyclopropenyl cation. An experimental (FTICR) and computational [G2(MP2)] study
Authors: Abboud, JLM Castano, O Herreros, M Leito, I Notario, R Sak, K
Citation: Jlm. Abboud et al., Thermodynamic stability of trichlorocyclopropenyl cation. An experimental (FTICR) and computational [G2(MP2)] study, J ORG CHEM, 63(24), 1998, pp. 8995-8997
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