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Items: 1 to 20 of 99

1.

Hybrid QM/QM simulations of photochemical reactions in the molecular crystal N-salicylidene-2-chloroaniline.

Kochman MA, Bil A, Morrison CA.

Phys Chem Chem Phys. 2013 Jul 14;15(26):10803-16. doi: 10.1039/c3cp51263k. Epub 2013 May 21.

PMID:
23694956
2.

Hybrid QM/QM Simulations of Excited-State Intramolecular Proton Transfer in the Molecular Crystal 7-(2-Pyridyl)-indole.

Kochman MA, Morrison CA.

J Chem Theory Comput. 2013 Feb 12;9(2):1182-92. doi: 10.1021/ct3008149. Epub 2013 Feb 1.

PMID:
26588761
3.

Photodynamics of Schiff base salicylideneaniline: trajectory surface-hopping simulations.

Spörkel L, Cui G, Thiel W.

J Phys Chem A. 2013 Jun 6;117(22):4574-83. doi: 10.1021/jp4028035. Epub 2013 May 23.

PMID:
23650926
4.

Ultrafast excited-state dynamics in photochromic N-salicylideneaniline studied by femtosecond time-resolved REMPI spectroscopy.

Okabe C, Nakabayashi T, Inokuchi Y, Nishi N, Sekiya H.

J Chem Phys. 2004 Nov 15;121(19):9436-42.

PMID:
15538864
5.

Nonadiabatic ab initio molecular dynamics study of photoisomerization in N-salicilydenemethylfurylamine (SMFA).

Gao AH, Wang MS.

J Chem Phys. 2017 Mar 28;146(12):124312. doi: 10.1063/1.4979060.

PMID:
28388148
7.

Nonadiabatic dynamics simulation of photoisomerization mechanism of the second stablest isomer of N-salicilydenemethylfurylamine.

Gao A, Li J, Wang D, Ma X, Wang M.

Spectrochim Acta A Mol Biomol Spectrosc. 2018 Feb 15;191:315-324. doi: 10.1016/j.saa.2017.10.041. Epub 2017 Oct 14.

PMID:
29055276
8.

Investigation of ultrafast photoinduced processes for salicylidene aniline in solution and gas phase: toward a general photo-dynamical scheme.

Sliwa M, Mouton N, Ruckebusch C, Poisson L, Idrissi A, Aloïse S, Potier L, Dubois J, Poizat O, Buntinx G.

Photochem Photobiol Sci. 2010 May;9(5):661-9. doi: 10.1039/b9pp00207c. Epub 2010 Mar 3.

PMID:
20442925
9.
10.

Photo-deactivation pathways of a double H-bonded photochromic Schiff base investigated by combined theoretical calculations and experimental time-resolved studies.

Randino C, Ziółek M, Gelabert R, Organero JA, Gil M, Moreno M, Lluch JM, Douhal A.

Phys Chem Chem Phys. 2011 Sep 7;13(33):14960-72. doi: 10.1039/c1cp21039d. Epub 2011 Jul 14.

PMID:
21755097
11.

Excited-state intramolecular proton transfer to carbon atoms: nonadiabatic surface-hopping dynamics simulations.

Xia SH, Xie BB, Fang Q, Cui G, Thiel W.

Phys Chem Chem Phys. 2015 Apr 21;17(15):9687-97. doi: 10.1039/c5cp00101c.

PMID:
25711992
12.

A fast photoswitch for minimally perturbed peptides: investigation of the trans-->cis photoisomerization of N-methylthioacetamide.

Helbing J, Bregy H, Bredenbeck J, Pfister R, Hamm P, Huber R, Wachtveitl J, De Vico L, Olivucci M.

J Am Chem Soc. 2004 Jul 21;126(28):8823-34.

PMID:
15250736
13.

Excited state intramolecular proton transfer in Schiff bases. Decay of the locally excited enol state observed by femtosecond resolved fluorescence.

Rodríguez-Córdoba W, Zugazagoitia JS, Collado-Fregoso E, Peon J.

J Phys Chem A. 2007 Jul 19;111(28):6241-7. Epub 2007 Jun 21.

PMID:
17583330
14.

Photophysics of a Schiff base: theoretical exploration of the excited-state deactivation mechanisms of N-salicilydenemethylfurylamine (SMFA).

Moghadam AJ, Omidyan R, Mirkhani V.

Phys Chem Chem Phys. 2014 Feb 14;16(6):2417-24. doi: 10.1039/c3cp54416h.

PMID:
24358475
15.

Ultrafast radiationless transition pathways through conical intersections in photo-excited 9H-adenine.

Hassan WM, Chung WC, Shimakura N, Koseki S, Kono H, Fujimura Y.

Phys Chem Chem Phys. 2010;12(20):5317-28. doi: 10.1039/b926102h.

PMID:
20358092
16.

Ab initio study of ultrafast photochemical reaction dynamics of phenol blue.

Kobayashi T, Shiga M, Murakami A, Nakamura S.

J Am Chem Soc. 2007 May 23;129(20):6405-24. Epub 2007 May 2.

PMID:
17472374
17.

Nonadiabatic ab initio molecular dynamics of photoisomerization in bridged azobenzene.

Gao AH, Li B, Zhang PY, Han KL.

J Chem Phys. 2012 Nov 28;137(20):204305. doi: 10.1063/1.4767459.

PMID:
23206001
18.

Intramolecular hydrogen bonding plays a crucial role in the photophysics and photochemistry of the GFP chromophore.

Cui G, Lan Z, Thiel W.

J Am Chem Soc. 2012 Jan 25;134(3):1662-72. doi: 10.1021/ja208496s. Epub 2012 Jan 10.

PMID:
22175658
19.

Theoretical investigation of excited state proton transfer process in the N-salicylidene-2-bromoethylamine.

Moghadam AJ, Omidyan R, Mirkhani V, Azimi G.

J Phys Chem A. 2013 Jan 31;117(4):718-25. doi: 10.1021/jp310490v. Epub 2013 Jan 22.

PMID:
23312032
20.

Ultrafast internal conversion pathway and mechanism in 2-(2'-hydroxyphenyl)benzothiazole: a case study for excited-state intramolecular proton transfer systems.

Barbatti M, Aquino AJ, Lischka H, Schriever C, Lochbrunner S, Riedle E.

Phys Chem Chem Phys. 2009 Mar 7;11(9):1406-15. doi: 10.1039/b814255f. Epub 2009 Jan 13.

PMID:
19224042

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