MARÍA MERCEDES
RUBIO MAS
CONTRATADO/A DOCTOR/A
ENRIQUE
ORTI GUILLEN
CATEDRÁTICO/A DE UNIVERSIDAD
Publicacions en què col·labora amb ENRIQUE ORTI GUILLEN (13)
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
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 spectra of tetrathiafulvalene and its radical cation: Analysis of the performance of the time-dependent DFT approach
Chemical Physics Letters, Vol. 352, Núm. 5-6, pp. 491-498
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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
1996
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A study of coronene-coronene association using atom-atom pair potentials
International Journal of Quantum Chemistry, Vol. 57, Núm. 4, pp. 567-573
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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 description of the fluoranthene-fluoranthene association using atom-atom pair potentials
Synthetic Metals, Vol. 71, Núm. 1-3, pp. 2081-2082
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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