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Results: 1-21 |
Results: 21
A theoretical insight into the photophysics of acridine
Authors: Rubio-Pons, O Serrano-Andres, L Merchan, M
Citation: O. Rubio-pons et al., A theoretical insight into the photophysics of acridine, J PHYS CH A, 105(42), 2001, pp. 9664-9673
Electronic spectra of 2,2 '-bithiophene and 2,2 ': 5 ',2 ''-terthiophene radical cations: A theoretical analysis
Authors: Rubio, M Orti, E Pou-Amerigo, R Merchan, M
Citation: M. Rubio et al., Electronic spectra of 2,2 '-bithiophene and 2,2 ': 5 ',2 ''-terthiophene radical cations: A theoretical analysis, J PHYS CH A, 105(42), 2001, pp. 9788-9794
Theoretical analysis of the electronic spectra of benzaldehyde
Authors: Molina, V Merchan, M
Citation: V. Molina et M. Merchan, Theoretical analysis of the electronic spectra of benzaldehyde, J PHYS CH A, 105(15), 2001, pp. 3745-3751
On the absorbance changes in the photocycle of the photoactive yellow protein: A quantum-chemical analysis
Authors: Molina, V Merchan, M
Citation: V. Molina et M. Merchan, On the absorbance changes in the photocycle of the photoactive yellow protein: A quantum-chemical analysis, P NAS US, 98(8), 2001, pp. 4299-4304
Theoretical studies on the spectroscopy of the 7-azaindole monomer and dimer
Authors: Serrano-Andres, L Merchan, M Borin, AC Stalring, J
Citation: L. Serrano-andres et al., Theoretical studies on the spectroscopy of the 7-azaindole monomer and dimer, INT J QUANT, 84(2), 2001, pp. 181-191
On the electronic coupling of the C=O stretching vibrations in Cl2Pt(malonate)(-)
Authors: Ribbing, C Merchan, M
Citation: C. Ribbing et M. Merchan, On the electronic coupling of the C=O stretching vibrations in Cl2Pt(malonate)(-), INORG CHEM, 40(14), 2001, pp. 3510-3515
On the low-lying singlet excited states of styrene: a theoretical contribution
Authors: Molina, V Merchan, M Roos, BO Malmqvist, PA
Citation: V. Molina et al., On the low-lying singlet excited states of styrene: a theoretical contribution, PHYS CHEM P, 2(10), 2000, pp. 2211-2217
Theoretical study of the twisted intramolecular charge transfer in 1-phenylpyrrole
Authors: Proppe, B Merchan, M Serrano-Andres, L
Citation: B. Proppe et al., Theoretical study of the twisted intramolecular charge transfer in 1-phenylpyrrole, J PHYS CH A, 104(7), 2000, pp. 1608-1616
A theoretical study of the low-lying states of the anionic and protonated ionic forms of urocanic acid
Authors: Page, CS Olivucci, M Merchan, M
Citation: Cs. Page et al., A theoretical study of the low-lying states of the anionic and protonated ionic forms of urocanic acid, J PHYS CH A, 104(38), 2000, pp. 8796-8805
Electronic excitation in a saturated chain: An MS-CASPT2 treatment of the anti conformer of n-tetrasilane
Authors: Crespo, R Merchan, M Michl, J
Citation: R. Crespo et al., Electronic excitation in a saturated chain: An MS-CASPT2 treatment of the anti conformer of n-tetrasilane, J PHYS CH A, 104(37), 2000, pp. 8593-8599
Electronic spectra of the cyclometalated complexes M(2-thienylpyridine)(2)with M = Pd, Pt: A theoretical study
Authors: Pierloot, K Ceulemans, A Merchan, M Serrano-Andres, L
Citation: K. Pierloot et al., Electronic spectra of the cyclometalated complexes M(2-thienylpyridine)(2)with M = Pd, Pt: A theoretical study, J PHYS CH A, 104(19), 2000, pp. 4374-4382
Computational evidence in favor of a two-state, two-mode model of the retinal chromophore photoisomerization
Authors: Gonzalez-Luque, R Garavelli, M Bernardi, F Merchan, M Robb, MA Olivucci, M
Citation: R. Gonzalez-luque et al., Computational evidence in favor of a two-state, two-mode model of the retinal chromophore photoisomerization, P NAS US, 97(17), 2000, pp. 9379-9384
A theoretical determination of the low-lying electronic states of the p-benzosemiquinone radical anion
Authors: Pou-Amerigo, R Serrano-Andres, L Merchan, M Orti, E Forsberg, N
Citation: R. Pou-amerigo et al., A theoretical determination of the low-lying electronic states of the p-benzosemiquinone radical anion, J AM CHEM S, 122(25), 2000, pp. 6067-6077
A theoretical study of the electronic spectrum of cis-stilbene
Authors: Molina, V Merchan, M Roos, BO
Citation: V. Molina et al., A theoretical study of the electronic spectrum of cis-stilbene, SPECT ACT A, 55(3), 1999, pp. 433-446
A theoretical study of the low-lying excited states of trans- and cis-urocanic acid
Authors: Page, CS Merchan, M Serrano-Andres, L Olivucci, M
Citation: Cs. Page et al., A theoretical study of the low-lying excited states of trans- and cis-urocanic acid, J PHYS CH A, 103(48), 1999, pp. 9864-9871
Electronic spectra of 1,4-cyclohexadiene and 1,3-cyclohexadiene: A combined experimental and theoretical investigation
Authors: Merchan, M Serrano-Andres, L Slater, LS Roos, BO McDiarmid, R Xing, Y
Citation: M. Merchan et al., Electronic spectra of 1,4-cyclohexadiene and 1,3-cyclohexadiene: A combined experimental and theoretical investigation, J PHYS CH A, 103(28), 1999, pp. 5468-5476
Theoretical spectroscopy of organic systems
Authors: Merchan, M Serrano-Andres, L Gonzalez-Luque, R Roos, BO Rubio, M
Citation: M. Merchan et al., Theoretical spectroscopy of organic systems, THEOCHEM, 463(1-2), 1999, pp. 201-210
Theoretical study of the electronic spectrum of p-benzoquinone
Authors: Pou-Amerigo, R Merchan, M Orti, E
Citation: R. Pou-amerigo et al., Theoretical study of the electronic spectrum of p-benzoquinone, J CHEM PHYS, 110(19), 1999, pp. 9536-9546
Theoretical study of the electronic spectrum of magnesium-porphyrin
Authors: Rubio, M Roos, BO Serrano-Andres, L Merchan, M
Citation: M. Rubio et al., Theoretical study of the electronic spectrum of magnesium-porphyrin, J CHEM PHYS, 110(15), 1999, pp. 7202-7209
A theoretical study of the electronic spectrum of styrene
Authors: Molina, V Smith, BR Merchan, M
Citation: V. Molina et al., A theoretical study of the electronic spectrum of styrene, CHEM P LETT, 309(5-6), 1999, pp. 486-494
Effects of distance uncertainties on determinations of the galaxy peculiarvelocity field
Authors: Padilla, N Merchan, M Lambas, DG
Citation: N. Padilla et al., Effects of distance uncertainties on determinations of the galaxy peculiarvelocity field, ASTROPHYS J, 504(2), 1998, pp. 612-621
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