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Items: 1 to 20 of 229

1.

A non-adiabatic dynamics study of octatetraene: the radiationless conversion from S2 to S1.

Qu Z, Liu C.

J Chem Phys. 2013 Dec 28;139(24):244304. doi: 10.1063/1.4853715.

PMID:
24387367
2.

Ab initio quantum dynamical analysis of ultrafast nonradiative transitions via conical intersections in pyrazine.

Kanno M, Ito Y, Shimakura N, Koseki S, Kono H, Fujimura Y.

Phys Chem Chem Phys. 2015 Jan 21;17(3):2012-24. doi: 10.1039/c4cp04807e. Epub 2014 Dec 5.

PMID:
25476139
3.

Multi-state nonadiabatic deactivation mechanism of coumarin revealed by ab initio on-the-fly trajectory surface hopping dynamic simulation.

Gan Y, Yue L, Guo X, Zhu C, Cao Z.

Phys Chem Chem Phys. 2017 May 17;19(19):12094-12106. doi: 10.1039/c6cp08929a.

PMID:
28443858
4.

Non-adiabatic dynamics investigation of the radiationless decay mechanism of trans-urocanic acid in the S2 state.

Zhao L, Zhou PW, Zhao GJ.

J Chem Phys. 2016 Jul 28;145(4):044316. doi: 10.1063/1.4959131.

PMID:
27475370
5.

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
6.

Photophysics of soret-excited tetrapyrroles in solution. II. Effects of perdeuteration, substituent nature and position, and macrocycle structure and conformation in zinc(II) porphyrins.

Liu X, Tripathy U, Bhosale SV, Langford SJ, Steer RP.

J Phys Chem A. 2008 Sep 25;112(38):8986-98. doi: 10.1021/jp804792x. Epub 2008 Aug 28.

PMID:
18754604
7.

Excited states of thiophene: ring opening as deactivation mechanism.

Salzmann S, Kleinschmidt M, Tatchen J, Weinkauf R, Marian CM.

Phys Chem Chem Phys. 2008 Jan 21;10(3):380-92. doi: 10.1039/b710380h. Epub 2007 Sep 28.

PMID:
18174980
8.

Surface-hopping dynamics simulations of malachite green: a triphenylmethane dye.

Xie BB, Xia SH, Liu LH, Cui G.

J Phys Chem A. 2015 Jun 4;119(22):5607-17. doi: 10.1021/acs.jpca.5b02549. Epub 2015 May 22.

PMID:
25945894
9.

Ab initio nonadiabatic quantum dynamics of cyclohexadiene/hexatriene ultrafast photoisomerization.

Tamura H, Nanbu S, Ishida T, Nakamura H.

J Chem Phys. 2006 Feb 28;124(8):084313.

PMID:
16512722
10.
11.

Ultrafast relaxation dynamics of the excited states of Michler's thione.

Mondal JA, Ghosh HN, Mukherjee T, Palit DK.

J Phys Chem A. 2006 Nov 9;110(44):12103-12.

PMID:
17078604
12.

Manipulating dynamics with chemical structure: probing vibrationally-enhanced tunnelling in photoexcited catechol.

Chatterley AS, Young JD, Townsend D, Żurek JM, Paterson MJ, Roberts GM, Stavros VG.

Phys Chem Chem Phys. 2013 May 14;15(18):6879-92. doi: 10.1039/c3cp51108a. Epub 2013 Apr 2.

PMID:
23549305
13.
14.

Non-Born-Oppenheimer wavepacket dynamics in polyatomic molecules: vibrations at conical intersections in DABCO.

Boguslavskiy AE, Schuurman MS, Townsend D, Stolowu A.

Faraday Discuss. 2011;150:419-38; discussion 505-32.

PMID:
22457959
15.
16.

Ultrafast S1 to S0 internal conversion dynamics for dimethylnitramine through a conical intersection.

Guo Y, Bhattacharya A, Bernstein ER.

J Phys Chem A. 2011 Sep 1;115(34):9349-53. doi: 10.1021/jp109150u. Epub 2011 Feb 25.

PMID:
21351779
17.

Ultrafast dynamics in thiophene investigated by femtosecond pump probe photoelectron spectroscopy and theory.

Weinkauf R, Lehr L, Schlag EW, Salzmann S, Marian CM.

Phys Chem Chem Phys. 2008 Jan 21;10(3):393-404. doi: 10.1039/b710381f. Epub 2007 Nov 28.

PMID:
18174981
18.

Probing the π→π* photoisomerization mechanism of cis-azobenzene by multi-state ab initio on-the-fly trajectory dynamics simulation.

Yu L, Xu C, Zhu C.

Phys Chem Chem Phys. 2015 Jul 21;17(27):17646-60. doi: 10.1039/c5cp02446c. Epub 2015 Jun 17.

PMID:
26081715
19.

Time-resolved photoelectron imaging of ultrafast S2-->S1 internal conversion through conical intersection in pyrazine.

Suzuki Y, Fuji T, Horio T, Suzuki T.

J Chem Phys. 2010 May 7;132(17):174302. doi: 10.1063/1.3395206.

PMID:
20459164
20.

A CASSCF and CASPT2 study on the excited states of s-trans-formaldazine.

Luo C, Duan XM, Liu JY, Li ZS.

J Phys Chem A. 2008 Sep 25;112(38):8979-85. doi: 10.1021/jp805081h. Epub 2008 Aug 30.

PMID:
18759422

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