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1.
The mechanism behind the photochromism and photomagnetism of type II biindenylidenediones: multiconfigurational, perturbative and density functional theory studies.
Phys Chem Chem Phys
; 23(32): 17453-17465, 2021 Aug 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-34355231
2.
Theoretical studies on the energy structures and optical properties of copper cysteamine - a novel sensitizer.
Phys Chem Chem Phys
; 21(37): 21084-21093, 2019 Oct 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-31528957
3.
Photosensitization Versus Photocyclization: Competitive Reactions of Phenylphenalenone in Its Role as Phytoanticipins in Plant Defense Strategies.
J Phys Chem A
; 122(3): 811-821, 2018 Jan 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-29266946
4.
Excited-State Decay in the Photoisomerisation of Azobenzene: A New Balance between Mechanisms.
Chemphyschem
; 17(19): 3068-3079, 2016 Oct 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-27398810
5.
Intramolecular charge transfer in aminobenzonitriles and tetrafluoro counterparts: fluorescence explained by competition between low-lying excited states and radiationless deactivation. Part I: A mechanistic overview of the parent system ABN.
Phys Chem Chem Phys
; 18(9): 6861-74, 2016 Mar 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-26880713
6.
Intramolecular charge transfer in aminobenzonitriles and tetrafluoro counterparts: fluorescence explained by competition between low lying excited states and radiationless deactivation. Part II: influence of substitution on luminescence patterns.
Phys Chem Chem Phys
; 18(9): 6875-84, 2016 Mar 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-26878811
7.
Insight into the mechanisms of luminescence of aminobenzonitrile and dimethylaminobenzonitrile in polar solvents. An ab initio study.
J Phys Chem A
; 119(10): 1983-95, 2015 Mar 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-25679323
8.
Computational study of the mechanism of the photochemical and thermal ring-opening/closure reactions and solvent dependence in spirooxazines.
J Phys Chem A
; 116(31): 8148-58, 2012 Aug 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-22708964
9.
Mechanism of the photochemical process of singlet oxygen production by phenalenone.
Phys Chem Chem Phys
; 13(9): 4138-48, 2011 Mar 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-21225064
10.
The decay from the dark npi* excited state in uracil: an integrated CASPT2/CASSCF and PCM/TD-DFT study in the gas phase and in water.
J Phys Chem B
; 112(35): 10769-72, 2008 Sep 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-18700794
11.
Phenylazopyridine as Switch in Photochemical Reactions. A Detailed Computational Description of the Mechanism of Its Photoisomerization.
Materials (Basel)
; 10(12)2017 Nov 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-29168765
12.
Unified model for the ultrafast decay of pyrimidine nucleobases.
J Phys Chem B
; 110(51): 26471-6, 2006 Dec 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-17181307
13.
Intramolecular Charge Transfer in 4-Aminobenzonitrile Does Not Need the Twist and May Not Need the Bend.
J Phys Chem Lett
; 6(8): 1316-20, 2015 Apr 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-26263129
14.
On the mechanism of the photoinduced magnetism in copper octacyanomolybdates.
Chem Commun (Camb)
; 46(31): 5737-9, 2010 Aug 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-20596576
15.
The peculiar spectral properties of amino-substituted uracils: a combined theoretical and experimental study.
J Phys Chem B
; 114(39): 12708-19, 2010 Oct 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-20831146
16.
Theoretical investigation of luminescence behavior as a function of alkyl chain size in 4-aminobenzonitrile alicyclic derivatives.
J Phys Chem A
; 110(40): 11455-61, 2006 Oct 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-17020256
17.
Efficient photochemical merocyanine-to-spiropyran ring closure mechanism through an extended conical intersection seam. A model CASSCF/CASPT2 study.
J Phys Chem A
; 110(11): 3986-91, 2006 Mar 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-16539421
18.
Intramolecular charge transfer in 4-aminobenzonitriles does not necessarily need the twist.
J Am Chem Soc
; 127(19): 7119-29, 2005 May 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-15884954
19.
Thermal and photochemical rearrangement of bicyclo[3.1.0]hex-3-en-2-one to the ketonic tautomer of phenol. Computational evidence for the formation of a diradical rather than a zwitterionic intermediate.
J Am Chem Soc
; 124(51): 15375-84, 2002 Dec 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-12487613
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