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Items: 1 to 20 of 412

1.

Theoretical analysis of photoinduced H-atom elimination in thiophenol.

Venkatesan TS, Ramesh SG, Lan Z, Domcke W.

J Chem Phys. 2012 May 7;136(17):174312. doi: 10.1063/1.4709608.

PMID:
22583235
2.

Time-dependent quantum wave-packet description of the 1pi sigma* photochemistry of phenol.

Lan Z, Domcke W, Vallet V, Sobolewski AL, Mahapatra S.

J Chem Phys. 2005 Jun 8;122(22):224315.

PMID:
15974676
3.

Photochemistry of pyrrole: time-dependent quantum wave-packet description of the dynamics at the 1pi sigma*-S0 conical intersections.

Vallet V, Lan Z, Mahapatra S, Sobolewski AL, Domcke W.

J Chem Phys. 2005 Oct 8;123(14):144307.

PMID:
16238391
4.

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
5.

Factors Affecting the Branching Ratio of Photodissociation: Thiophenol Studied through Quantum Wavepacket Dynamics.

An H, Choi H, Lee YS, Baeck KK.

Chemphyschem. 2015 May 18;16(7):1529-34. doi: 10.1002/cphc.201500060. Epub 2015 Mar 10.

PMID:
25756225
6.

Time-dependent quantum wave-packet description of the 1pi sigma* photochemistry of pyrrole.

Vallet V, Lan Z, Mahapatra S, Sobolewski AL, Domcke W.

Faraday Discuss. 2004;127:283-93.

PMID:
15471350
7.

Tunnelling under a conical intersection: application to the product vibrational state distributions in the UV photodissociation of phenols.

Dixon RN, Oliver TA, Ashfold MN.

J Chem Phys. 2011 May 21;134(19):194303. doi: 10.1063/1.3585609.

PMID:
21599055
8.

Photodissociation dynamics of the pyridinyl radical: Time-dependent quantum wave-packet calculations.

Ehrmaier J, Picconi D, Karsili TN, Domcke W.

J Chem Phys. 2017 Mar 28;146(12):124304. doi: 10.1063/1.4978283.

PMID:
28388140
9.

Diabatic Molecular Orbitals, Potential Energies, and Potential Energy Surface Couplings by the 4-fold Way for Photodissociation of Phenol.

Xu X, Yang KR, Truhlar DG.

J Chem Theory Comput. 2013 Aug 13;9(8):3612-25. doi: 10.1021/ct400447f. Epub 2013 Jul 18.

PMID:
26584115
10.

Accuracy of trajectory surface-hopping methods: Test for a two-dimensional model of the photodissociation of phenol.

Xie W, Domcke W.

J Chem Phys. 2017 Nov 14;147(18):184114. doi: 10.1063/1.5006788.

PMID:
29141421
11.

Photochemistry of the water dimer: time-dependent quantum wave-packet description of the dynamics at the S1-S0 conical intersection.

Chmura B, Lan Z, Rode MF, Sobolewski AL.

J Chem Phys. 2009 Oct 7;131(13):134307. doi: 10.1063/1.3226568.

PMID:
19814553
12.

Ab initio characterization of the conical intersections involved in the photochemistry of phenol.

Vieuxmaire OP, Lan Z, Sobolewski AL, Domcke W.

J Chem Phys. 2008 Dec 14;129(22):224307. doi: 10.1063/1.3028049.

PMID:
19071916
13.

Symmetry matters: photodissociation dynamics of symmetrically versus asymmetrically substituted phenols.

Karsili TN, Wenge AM, Marchetti B, Ashfold MN.

Phys Chem Chem Phys. 2014 Jan 14;16(2):588-98. doi: 10.1039/c3cp53450b.

PMID:
24201655
16.

Near-UV photolysis of substituted phenols, I: 4-fluoro-, 4-chloro- and 4-bromophenol.

Devine AL, Nix MG, Cronin B, Ashfold MN.

Phys Chem Chem Phys. 2007 Jul 28;9(28):3749-62. Epub 2007 May 29.

PMID:
17622410
17.

Controlling electronic product branching at conical intersections in the UV photolysis of para-substituted thiophenols.

Oliver TA, King GA, Tew DP, Dixon RN, Ashfold MN.

J Phys Chem A. 2012 Dec 27;116(51):12444-59. doi: 10.1021/jp308804d. Epub 2012 Nov 14.

PMID:
23110379
18.

Geometric phase effects in the coherent control of the branching ratio of photodissociation products of phenol.

Abe M, Ohtsuki Y, Fujimura Y, Lan Z, Domcke W.

J Chem Phys. 2006 Jun 14;124(22):224316.

PMID:
16784283
19.

Conical intersections involving the dissociative 1pisigma* state in 9H-adenine: a quantum chemical ab initio study.

Credo Chung W, Lan Z, Ohtsuki Y, Shimakura N, Domcke W, Fujimura Y.

Phys Chem Chem Phys. 2007 May 7;9(17):2075-84. Epub 2007 Feb 26.

PMID:
17464388
20.

Excited state hydrogen transfer dynamics in substituted phenols and their complexes with ammonia: ππ*-πσ* energy gap propensity and ortho-substitution effect.

Pino GA, Oldani AN, Marceca E, Fujii M, Ishiuchi SI, Miyazaki M, Broquier M, Dedonder C, Jouvet C.

J Chem Phys. 2010 Sep 28;133(12):124313. doi: 10.1063/1.3480396.

PMID:
20886938

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