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Results: 1 to 20 of 109

1.

Regulating energy transfer of excited carriers and the case for excitation-induced hydrogen dissociation on hydrogenated graphene.

Bang J, Meng S, Sun YY, West D, Wang Z, Gao F, Zhang SB.

Proc Natl Acad Sci U S A. 2013 Jan 15;110(3):908-11. doi: 10.1073/pnas.1210313110. Epub 2012 Dec 31.

PMID:
23277576
[PubMed]
Free PMC Article
2.

Extremely long nonradiative relaxation of photoexcited graphane is greatly accelerated by oxidation: time-domain ab initio study.

Nelson TR, Prezhdo OV.

J Am Chem Soc. 2013 Mar 6;135(9):3702-10. doi: 10.1021/ja400033g. Epub 2013 Feb 20.

PMID:
23373957
[PubMed - indexed for MEDLINE]
3.

Ab initio ground and excited state potential energy surfaces for NO-Kr complex and dynamics of Kr solids with NO impurity.

Castro-Palacios JC, Rubayo-Soneira J, Ishii K, Yamashita K.

J Chem Phys. 2007 Apr 7;126(13):134315.

PMID:
17430040
[PubMed - indexed for MEDLINE]
4.
5.

A systematic study of electronic structure from graphene to graphane.

Chandrachud P, Pujari BS, Haldar S, Sanyal B, Kanhere DG.

J Phys Condens Matter. 2010 Nov 24;22(46):465502. doi: 10.1088/0953-8984/22/46/465502. Epub 2010 Nov 4.

PMID:
21403371
[PubMed]
6.

Importance of polarization in quantum mechanics/molecular mechanics descriptions of electronic excited states: NaI(H2O)n photodissociation dynamics as a case study.

Koch DM, Peslherbe GH.

J Phys Chem B. 2008 Jan 17;112(2):636-49. doi: 10.1021/jp709656z.

PMID:
18183959
[PubMed - indexed for MEDLINE]
7.

Photoinduced electron transfer and solvation dynamics in aqueous clusters: comparison of the photoexcited iodide-water pentamer and the water pentamer anion.

Mak CC, Timerghazin QK, Peslherbe GH.

Phys Chem Chem Phys. 2012 May 14;14(18):6257-65. doi: 10.1039/c2cp24099h. Epub 2012 Mar 30.

PMID:
22466252
[PubMed]
8.

Photo-induced charge separation across the graphene-TiO2 interface is faster than energy losses: a time-domain ab initio analysis.

Long R, English NJ, Prezhdo OV.

J Am Chem Soc. 2012 Aug 29;134(34):14238-48. doi: 10.1021/ja3063953. Epub 2012 Aug 21.

PMID:
22880690
[PubMed]
9.

Photochemistry of the water molecule: adiabatic versus nonadiabatic dynamics.

Yuan K, Dixon RN, Yang X.

Acc Chem Res. 2011 May 17;44(5):369-78. doi: 10.1021/ar100153g. Epub 2011 Mar 23.

PMID:
21428277
[PubMed]
10.

Hydrogen bonding and reactivity of water to azines in their S1 (n,π*) electronic excited states in the gas phase and in solution.

Reimers JR, Cai ZL.

Phys Chem Chem Phys. 2012 Jul 7;14(25):8791-802. doi: 10.1039/c2cp24040h. Epub 2012 Apr 24.

PMID:
22532059
[PubMed - indexed for MEDLINE]
12.

Photoinduced dissociation of water and transport of hydrogen between silver clusters.

Zhang Y, Whitten JL.

J Phys Chem A. 2008 Jul 17;112(28):6358-63. doi: 10.1021/jp800528j. Epub 2008 Jun 25.

PMID:
18578467
[PubMed]
13.

Graphane and hydrogenated graphene.

Pumera M, Wong CH.

Chem Soc Rev. 2013 Jul 21;42(14):5987-95. doi: 10.1039/c3cs60132c.

PMID:
23686139
[PubMed]
14.
15.

Ground and excited state dissociation dynamics of ionized 1,1-difluoroethene.

Gridelet E, Dehareng D, Locht R, Lorquet AJ, Lorquet JC, Leyh B.

J Phys Chem A. 2005 Sep 22;109(37):8225-35.

PMID:
16834209
[PubMed - indexed for MEDLINE]
16.

Photodissociation dynamics of indole in a molecular beam.

Lin MF, Tseng CM, Lee YT, Ni CK.

J Chem Phys. 2005 Sep 22;123(12):124303.

PMID:
16392478
[PubMed - indexed for MEDLINE]
17.

Photoinduced dynamics in semiconductor quantum dots: insights from time-domain ab initio studies.

Prezhdo OV.

Acc Chem Res. 2009 Dec 21;42(12):2005-16. doi: 10.1021/ar900157s.

PMID:
19888715
[PubMed]
18.

Dissociative excitation energy transfer in the reactions of protonated cysteine and tryptophan with electronically excited singlet molecular oxygen (a1Δ(g)).

Liu F, Fang Y, Chen Y, Liu J.

J Phys Chem B. 2011 Aug 18;115(32):9898-909. doi: 10.1021/jp205235d. Epub 2011 Jul 28.

PMID:
21761907
[PubMed - indexed for MEDLINE]
19.

Ab initio excited state properties and dynamics of a prototype sigma-bridged-donor-acceptor molecule.

Tapavicza E, Tavernelli I, Rothlisberger U.

J Phys Chem A. 2009 Sep 3;113(35):9595-602. doi: 10.1021/jp901356k.

PMID:
19663389
[PubMed]
20.

Time-dependent density functional theory study on electronically excited States of coumarin 102 chromophore in aniline solvent: reconsideration of the electronic excited-state hydrogen-bonding dynamics.

Liu Y, Ding J, Shi D, Sun J.

J Phys Chem A. 2008 Jul 17;112(28):6244-8. doi: 10.1021/jp8022919. Epub 2008 Jun 21.

PMID:
18572895
[PubMed - indexed for MEDLINE]

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