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Items: 1 to 20 of 90

1.

Untangling the excited states of DR1 in solution: an experimental and theoretical study.

De Boni L, Toro C, Masunov AE, Hernandez FE.

J Phys Chem A. 2008 May 1;112(17):3886-90. doi: 10.1021/jp711552e. Epub 2008 Mar 20.

PMID:
18351759
2.

Fluorescence emission of disperse Red 1 in solution at room temperature.

Toro C, Thibert A, De Boni L, Masunov AE, Hernández FE.

J Phys Chem B. 2008 Jan 24;112(3):929-37. doi: 10.1021/jp076026v. Epub 2007 Dec 29.

PMID:
18163605
3.

Theoretical study of one- and two-photon absorption spectra of azoaromatic compounds.

Silva DL, Krawczyk P, Bartkowiak W, Mendonça CR.

J Chem Phys. 2009 Dec 28;131(24):244516. doi: 10.1063/1.3271239.

PMID:
20059088
4.

A computational study of the ground and excited state structure and absorption spectra of free-base N-confused porphine and free-base N-confused tetraphenylporphyrin.

Vyas S, Hadad CM, Modarelli DA.

J Phys Chem A. 2008 Jul 24;112(29):6533-49. doi: 10.1021/jp802094r. Epub 2008 Jul 1.

PMID:
18593108
5.

DFT/TD-DFT molecular design of porphyrin analogues for use in dye-sensitized solar cells.

Balanay MP, Kim DH.

Phys Chem Chem Phys. 2008 Sep 1;10(33):5121-7. doi: 10.1039/b806097e. Epub 2008 Jun 23.

PMID:
18701961
6.

Linear and nonlinear optical characterizations of a monomeric symmetric squaraine-based dye in solution.

Toro C, De Boni L, Yao S, Ritchie JP, Masunov AE, Belfield KD, Hernandez FE.

J Chem Phys. 2009 Jun 7;130(21):214504. doi: 10.1063/1.3147011.

PMID:
19508073
7.

First- and second-order polarizabilities of simple merocyanines. An experimental and theoretical reassessment of the two-level model.

Momicchioli F, Ponterini G, Vanossi D.

J Phys Chem A. 2008 Nov 20;112(46):11861-72. doi: 10.1021/jp8080854. Epub 2008 Oct 23.

PMID:
18942806
8.

Equilibrium, photophysical, photochemical, and quantum chemical examination of anionic mercury(II) mono- and bisporphyrins.

Valicsek Z, Lendvay G, Horváth O.

J Phys Chem B. 2008 Nov 20;112(46):14509-24. doi: 10.1021/jp804039s. Epub 2008 Oct 28.

PMID:
18954102
9.

Application of the perimeter model to the assignment of the electronic absorption spectra of gold(III) hexaphyrins with [4n+2] and [4n] pi-electron systems.

Muranaka A, Matsushita O, Yoshida K, Mori S, Suzuki M, Furuyama T, Uchiyama M, Osuka A, Kobayashi N.

Chemistry. 2009;15(15):3744-51. doi: 10.1002/chem.200801742.

PMID:
19212986
10.

The excited states of pi-stacked 9-methyladenine oligomers: a TD-DFT study in aqueous solution.

Improta R.

Phys Chem Chem Phys. 2008 May 21;10(19):2656-64. doi: 10.1039/b718562f. Epub 2008 Feb 14.

PMID:
18464980
11.

Studies on adsorption of mono- and multi-chromophoric hemicyanine dyes on silver nanoparticles by surface-enhanced resonance Raman and theoretical calculations.

Biswas N, Thomas S, Kapoor S, Mishra A, Wategaonkar S, Mukherjee T.

J Chem Phys. 2008 Nov 14;129(18):184702. doi: 10.1063/1.3009626.

PMID:
19045418
12.

Time-dependent density functional theory treatment of the first UV absorption band in all-transoid permethyloligosilanes SinMe2n + 2 (n = 2-8, 10).

Rooklin DW, Schepers T, Raymond-Johansson MK, Michl J.

Photochem Photobiol Sci. 2003 May;2(5):511-7.

PMID:
12803073
13.

A density functional theory study of the structure and vibrational spectra of beta-carotene, capsanthin, and capsorubin.

Requena A, Cerón-Carrasco JP, Bastida A, Zúñiga J, Miguel B.

J Phys Chem A. 2008 May 29;112(21):4815-25. doi: 10.1021/jp710304u. Epub 2008 May 8.

PMID:
18461911
15.

Unveiling electronic transitions in three novel chiral azo-compounds using linear and nonlinear circular dichroism: a theoretical-experimental study.

Toro C, Passier R, Diaz C, Tuuttila T, Rissanen K, Huuskonen J, Hernández FE.

J Phys Chem A. 2011 Feb 24;115(7):1186-93. doi: 10.1021/jp1074253. Epub 2011 Feb 3.

PMID:
21291189
16.

Two-photon circular-linear dichroism of perylene in solution: a theoretical-experimental study.

Vivas MG, Diaz C, Echevarria L, Mendonca CR, Hernández FE, De Boni L.

J Phys Chem B. 2013 Mar 7;117(9):2742-7. doi: 10.1021/jp311065n. Epub 2013 Feb 26.

PMID:
23384042
17.

Theoretical investigation of anthracene-9,10-endoperoxide vertical singlet and triplet excitation spectra.

Corral I, González L.

J Comput Chem. 2008 Sep;29(12):1982-91. doi: 10.1002/jcc.20949.

PMID:
18366030
18.

Interpretation of the electronic spectra of four disilanes.

Piqueras MC, Crespo R, Michl J.

J Phys Chem A. 2008 Dec 18;112(50):13095-101. doi: 10.1021/jp804677v.

PMID:
18821735
19.

Multiphoton ionization and dissociation of diazirine: a theoretical and experimental study.

Fedorov I, Koziol L, Mollner AK, Krylov AI, Reisler H.

J Phys Chem A. 2009 Jul 2;113(26):7412-21. doi: 10.1021/jp900204g.

PMID:
19341251
20.

Theoretical study on photophysical properties of multifunctional electroluminescent molecules with different pi-conjugated bridges.

Zou LY, Ren AM, Feng JK, Liu YL, Ran XQ, Sun CC.

J Phys Chem A. 2008 Nov 27;112(47):12172-8. doi: 10.1021/jp8032462.

PMID:
18959398

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