*Facultade de Química
Centre
![Foto de Jesús](/img/nophoto.png)
Jesús
Rodríguez Otero
Publications by the researcher in collaboration with Jesús Rodríguez Otero (33)
2013
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Theoretical study of the decomposition of ethyl and ethyl 3-phenyl glycidate
Journal of Molecular Modeling, Vol. 19, Núm. 1, pp. 315-320
2012
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A MP2 and DFT study of the influence of complexation on the aromatic character of phosphole
Journal of Molecular Modeling, Vol. 18, Núm. 2, pp. 765-770
2011
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A MP2 and DFT study of the aromatic character of polyphosphaphospholes. Is the pyramidality the only factor to take into consideration?
Journal of Molecular Modeling, Vol. 17, Núm. 6, pp. 1267-1272
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A computational study of the mechanism of the unimolecular elimination of α,β-unsaturated aldehydes in the gas phase
Journal of Molecular Modeling, Vol. 17, Núm. 1, pp. 21-26
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Computational study of the interaction of indole-like molecules with water and hydrogen sulfide
Journal of Chemical Physics, Vol. 135, Núm. 13
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Study of the interaction between aniline and CH3CN, CH3Cl and CH3F
Theoretical Chemistry Accounts, Vol. 128, Núm. 4, pp. 531-539
2009
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Study of the ferrocene-lithium cation interaction by DFT calculations: an in-depth analysis of the existence of a planetary system
Tetrahedron, Vol. 65, Núm. 11, pp. 2368-2371
2008
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Cation-π and anion-π interactions: Changes in aromaticity upon complexation
Chemical Physics Letters, Vol. 452, Núm. 1-3, pp. 49-53
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Characteristics of the interaction of azulene with water and hydrogen sulfide: A computational study
Journal of Chemical Physics, Vol. 129, Núm. 8
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Comment on "a theoretical investigation of the interactions between water molecules and ionic liquids"
Journal of Physical Chemistry B
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Computational study on the characteristics of the interaction in naphthalene⋯(H2X)n=1,2 (X = O, S) clusters
Journal of Physical Chemistry A, Vol. 112, Núm. 28, pp. 6344-6350
2007
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A DFT study of the [4+2] cycloadditions of conjugated ketenes (vinylketene, imidoylketene and formylketene) with formaldimine. The pericyclic or pseudopericyclic character from magnetic properties
Tetrahedron, Vol. 63, Núm. 23, pp. 4937-4943
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A comparative theoretical study of the pericyclic-pseudopericyclic character in a group of cyclizations of dienylketenes to cyclohexadienones
Journal of Physical Chemistry A, Vol. 111, Núm. 15, pp. 2935-2940
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A computational study of the electrocyclization of o-divinylbenzene and derivatives
Journal of Molecular Structure: THEOCHEM, Vol. 811, Núm. 1-3, pp. 141-151
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A theoretical study of the influence of BF3 on the reaction path of the [4+2] cycloaddition of vinylketene with formaldimine
Tetrahedron, Vol. 63, Núm. 47, pp. 11617-11621
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DFT study of the nucleophilic addition of water to ketenes
European Journal of Organic Chemistry, pp. 2344-2351
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Theoretical study of the walk rearrangement in perfluorotetramethyl (Dewar thiophene) exo-S-oxide
Tetrahedron, Vol. 63, Núm. 10, pp. 2191-2198
2005
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A DFT study of the concerted cyclisation of 3-azidopropenal to isoxazole: Is it a pseudopericyclic reaction according to its magnetic properties?
European Journal of Organic Chemistry, pp. 3228-3232
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A DFT study of the pericyclic/pseudopericyclic character of cycloaddition reactions of ethylene and formaldehyde to buta-1,3-dien-1-one and derivatives
Journal of Physical Chemistry A, Vol. 109, Núm. 25, pp. 5636-5644
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A density functional theory study on the electrocyclization of 1,2,4,6-heptatetraene analogues: Converting a pericyclic to a pseudopericyclic reaction
Chemistry - A European Journal, Vol. 11, Núm. 20, pp. 5966-5974