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Results:
1-23
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Results: 23
Authors:
Roversi, E
Scopelliti, R
Solari, E
Estoppey, R
Vogel, P
Brana, P
Menendez, B
Sordo, JA
Citation: E. Roversi et al., The hetero-Diels-Alder addition of sulfur dioxide: structure of the first crystalline sultine. Quantum calculations on the conformations of 6-fluoro-3,6-dihydro-1,2-oxathiine 2-oxides, CHEM COMMUN, (13), 2001, pp. 1214-1215
Authors:
Menendez, B
Rayon, VM
Sordo, JA
Cimas, A
Barrientos, C
Largo, A
Citation: B. Menendez et al., The reaction of N(S-4) with CH2F: A comparative ab initio and DFT study, J PHYS CH A, 105(43), 2001, pp. 9917-9925
Authors:
Sordo, JA
Citation: Ja. Sordo, On the use of the Boys-Bernardi function counterpoise procedure to correctbarrier heights for basis set superposition error, J MOL ST-TH, 537, 2001, pp. 245-251
Authors:
de la Vega, JM
Sordo, JA
Csizmadia, IG
Citation: Jm. De La Vega et al., Professor Serafin Fraga - Dedication, J MOL ST-TH, 537, 2001, pp. IX
Performance of CCSDT for first row AB/AB(-) diatomics: Dissociation energies and electron affinities
Authors:
Sordo, JA
Citation: Ja. Sordo, Performance of CCSDT for first row AB/AB(-) diatomics: Dissociation energies and electron affinities, J CHEM PHYS, 114(5), 2001, pp. 1974-1980
Authors:
Valdes, H
Rayon, VM
Sordo, JA
Citation: H. Valdes et al., High-level ab initio predictions of CO2 center dot center dot center dot N2O structure, INT J QUANT, 84(1), 2001, pp. 78-85
Authors:
Rayon, VM
Sordo, JA
Citation: Vm. Rayon et Ja. Sordo, Acetylene center dot center dot center dot sulfur dioxide van der Waals complexes: a theoretical study, CHEM P LETT, 341(5-6), 2001, pp. 575-584
Authors:
Valdes, H
Sordo, JA
Citation: H. Valdes et Ja. Sordo, The pentamethylene sulfide center dot center dot center dot HCl dimer: a theoretical study, CHEM P LETT, 333(1-2), 2001, pp. 169-180
Authors:
Brana, P
Sordo, JA
Citation: P. Brana et Ja. Sordo, Mechanistic aspects of the abstraction of an allylic hydrogen in the chlorine atom reaction with 2-methyl-1,3-butadiene (isoprene), J AM CHEM S, 123(42), 2001, pp. 10348-10353
Authors:
Brana, P
Menendez, B
Fernandez, T
Sordo, JA
Citation: P. Brana et al., Potential energy surface for the chlorine atom reaction with ethylene: A theoretical study, J PHYS CH A, 104(46), 2000, pp. 10842-10854
Authors:
Roversi, E
Monnat, F
Schenk, K
Vogel, P
Brana, P
Sordo, JA
Citation: E. Roversi et al., O-17 NMR spectroscopy of sulfolenes (2,5-dihydrothiophene-1,1-dioxides) and sultines (3,6-dihydro-1,2-oxathiin-2-oxides)-experiment and quantum calculations: Synthesis of 4,9-dioxo-1,2-oxathiacyclodecane-2-oxide, a new heterocycle, CHEM-EUR J, 6(10), 2000, pp. 1858-1864
Authors:
Fernandez, T
Suarez, D
Sordo, JA
Monnat, F
Roversi, E
de Castro, AE
Schenk, K
Vogel, P
Citation: T. Fernandez et al., Competition between hetero-Diels-Alder and chelotropic addition of sulfur dioxide. Theoretical and experimental substituent effects on the relative stability of 3,6-dihydro-1,2-oxathiin-2-oxides (sultines) and 2,5-dihydrothiophene-1,1-dioxides (sulfolenes). Anomeric effects in sultine and 6-substituted derivatives (vol 63, pg 9490, 1998), J ORG CHEM, 65(16), 2000, pp. 5075-5076
Authors:
Feller, D
Sordo, JA
Citation: D. Feller et Ja. Sordo, Performance of CCSDT for diatomic dissociation energies, J CHEM PHYS, 113(2), 2000, pp. 485-493
Authors:
Feller, D
Sordo, JA
Citation: D. Feller et Ja. Sordo, A CCSDT study of the effects of higher order correlation on spectroscopic constants. I. First row diatomic hydrides, J CHEM PHYS, 112(13), 2000, pp. 5604-5610
Authors:
Brana, P
Menendez, B
Fernandez, T
Sordo, JA
Citation: P. Brana et al., The role of bridged structures in the mechanism of the reaction between chlorine atom and ethylene, CHEM P LETT, 325(5-6), 2000, pp. 693-697
Authors:
Valdes, H
Rayon, VM
Sordo, JA
Citation: H. Valdes et al., The tetrahydropyran center dot center dot center dot HCl dimer: a theoretical study, CHEM P LETT, 320(5-6), 2000, pp. 507-512
Authors:
Sordo, JA
Citation: Ja. Sordo, On the important role played by polarization functions in calculations involving hypervalent molecules, CHEM P LETT, 316(1-2), 2000, pp. 167-170
Authors:
Lopez, JC
Alonso, JL
Lorenzo, FJ
Rayon, VM
Sordo, JA
Citation: Jc. Lopez et al., The tetrahydrofuran center dot center dot center dot hydrogen chloride complex: Rotational spectrum and theoretical analysis, J CHEM PHYS, 111(14), 1999, pp. 6363-6374
Authors:
Rayon, VM
Sordo, JA
Citation: Vm. Rayon et Ja. Sordo, Cyclopropane center dot center dot center dot sulfur dioxide and ethylene center dot center dot center dot sulfur dioxide van der Waals complexes: A theoretical study, J CHEM PHYS, 110(1), 1999, pp. 377-384
Authors:
Valdes, H
Rayon, VM
Sordo, JA
Citation: H. Valdes et al., On the violation of Legon-Millen's rules for predicting angular geometriesof hydrogen-bonded dimers: an ab initio study, CHEM P LETT, 309(3-4), 1999, pp. 265-273
Authors:
Sordo, JA
Citation: Ja. Sordo, Using fuzzy set theory to assess basis set quality, CHEM P LETT, 302(3-4), 1999, pp. 273-280
Authors:
Fernandez, T
Suarez, D
Sordo, JA
Monat, F
Roversi, E
de Castro, AE
Schenk, K
Vogel, P
Citation: T. Fernandez et al., Competition between hetero-Diels-Alder and cheletropic addition of sulfur dioxide. Theoretical and experimental substituent effects on the relative stability of 3,6-dihydro-1,2-oxathiin-2-oxides (sultines) and 2,5-dihydrothiophene-1,1-dioxides (sulfolenes). Anomeric effects in sultine and 6-substituted derivatives, J ORG CHEM, 63(25), 1998, pp. 9490-9499
Authors:
Fernandez, T
Sordo, JA
Monnat, F
Deguin, B
Vogel, P
Citation: T. Fernandez et al., Sulfur dioxide promotes its hetero-Diels-Alder and cheletropic additions to 1,2-dimethylidenecyclohexane, J AM CHEM S, 120(50), 1998, pp. 13276-13277
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