MANUELA
MERCHAN BONETE
CATEDRÁTICO/A DE UNIVERSIDAD
ENRIQUE
ORTI GUILLEN
CATEDRÁTICO/A DE UNIVERSIDAD
ENRIQUE ORTI GUILLEN-rekin lankidetzan egindako argitalpenak (17)
2005
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A theoretical study on the low-lying excited states of 2,2′:5′, 2″-terthiophene and 2,2′:5′,2″:5″,2‴- quaterthiophene
ChemPhysChem, Vol. 6, Núm. 7, pp. 1357-1368
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Theoretical study of the electronic excited states of tetracyanoethylene and its radical anion
ChemPhysChem, Vol. 6, Núm. 3, pp. 503-510
2003
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The Low-Lying Excited States of 2,2′-Bithiophene: A Theoretical Analysis
ChemPhysChem, Vol. 4, Núm. 12, pp. 1308-1315
2002
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Electronic transitions in tetrathiafulvalene and its radical cation: A theoretical contribution
Journal of Physical Chemistry A, Vol. 106, Núm. 4, pp. 631-640
2001
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Electronic spectra of 2,2′-bithiophene and 2,2′:5′,2″-terthiophene radical cations: A theoretical analysis
Journal of Physical Chemistry A, Vol. 105, Núm. 42, pp. 9788-9794
2000
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A theoretical determination of the low-lying electronic states of the p- benzosemiquinone radical anion
Journal of the American Chemical Society, Vol. 122, Núm. 25, pp. 6067-6077
1999
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Theoretical study of the electronic spectrum of p-benzoquinone
Journal of Chemical Physics, Vol. 110, Núm. 19, pp. 9536-9546
1996
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A theoretical study of the electronic spectrum of terthiophene
Chemical Physics Letters, Vol. 248, Núm. 5-6, pp. 321-328
1995
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A theoretical study of the electronic spectrum of biphenyl
Chemical Physics Letters, Vol. 234, Núm. 4-6, pp. 373-381
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A theoretical study of the electronic spectrum of bithiophene
The Journal of Chemical Physics, Vol. 102, Núm. 9, pp. 3580-3586
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The internal rotational barrier of biphenyl studied with multiconfigurational second-order perturbation theory (CASPT2)
Theoretica Chimica Acta, Vol. 91, Núm. 1-2, pp. 17-29
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Theoretical study of the electronic spectra of the biphenyl cation and anion
Journal of Physical Chemistry, Vol. 99, Núm. 41, pp. 14980-14987
1994
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A theoretical study of the electronic spectrum of naphthalene
Chemical Physics, Vol. 179, Núm. 3, pp. 395-409
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Ground state free base porphin: C2v or D2h symmetry? A theoretical contribution
Chemical Physics Letters, Vol. 221, Núm. 1-2, pp. 136-144
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Theoretical determination of the electronic spectrum of free base porphin
Chemical Physics Letters, Vol. 226, Núm. 1-2, pp. 27-36
1987
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A Cl study of the CuCO and CuCO+ complexes
The Journal of Chemical Physics, Vol. 87, Núm. 3, pp. 1690-1700
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Theoretical approach to the molecular conformation of nonfused biheterocycles. Bifurans and furylpyrroles
Journal of Physical Chemistry, Vol. 91, Núm. 3, pp. 545-551