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Items: 1 to 20 of 88

1.

Surface hopping modeling of two-dimensional spectra.

Tempelaar R, van der Vegte CP, Knoester J, Jansen TL.

J Chem Phys. 2013 Apr 28;138(16):164106. doi: 10.1063/1.4801519.

PMID:
23635110
2.

Two-dimensional electronic spectroscopy of molecular aggregates.

Ginsberg NS, Cheng YC, Fleming GR.

Acc Chem Res. 2009 Sep 15;42(9):1352-63. doi: 10.1021/ar9001075.

PMID:
19691358
3.

Does ℏ play a role in multidimensional spectroscopy? Reduced hierarchy equations of motion approach to molecular vibrations.

Sakurai A, Tanimura Y.

J Phys Chem A. 2011 Apr 28;115(16):4009-22. doi: 10.1021/jp1095618. Epub 2011 Jan 19.

PMID:
21247206
4.

Non-Markovian Quantum State Diffusion for temperature-dependent linear spectra of light harvesting aggregates.

Ritschel G, Suess D, Möbius S, Strunz WT, Eisfeld A.

J Chem Phys. 2015 Jan 21;142(3):034115. doi: 10.1063/1.4905327.

PMID:
25612697
5.

Field-induced surface hopping method for probing transition state nonadiabatic dynamics of Ag3.

Mitrić R, Petersen J, Wohlgemuth M, Werner U, Bonačić-Koutecký V.

Phys Chem Chem Phys. 2011 May 21;13(19):8690-6. doi: 10.1039/c0cp02935a. Epub 2011 Apr 11.

PMID:
21483897
6.

Coherence quantum beats in two-dimensional electronic spectroscopy.

Cheng YC, Fleming GR.

J Phys Chem A. 2008 May 8;112(18):4254-60. doi: 10.1021/jp7107889. Epub 2008 Apr 1.

PMID:
18376878
7.

Quantum chemistry behind bioimaging: insights from ab initio studies of fluorescent proteins and their chromophores.

Bravaya KB, Grigorenko BL, Nemukhin AV, Krylov AI.

Acc Chem Res. 2012 Feb 21;45(2):265-75. doi: 10.1021/ar2001556. Epub 2011 Sep 1.

PMID:
21882809
8.

Equilibrium excited state and emission spectra of molecular aggregates from the hierarchical equations of motion approach.

Jing Y, Chen L, Bai S, Shi Q.

J Chem Phys. 2013 Jan 28;138(4):045101. doi: 10.1063/1.4775843.

PMID:
23387623
9.

Nonlinear absorption dynamics using field-induced surface hopping: zinc porphyrin in water.

Röhr MI, Petersen J, Wohlgemuth M, Bonačić-Koutecký V, Mitrić R.

Chemphyschem. 2013 May 10;14(7):1377-86. doi: 10.1002/cphc.201300053. Epub 2013 Apr 15.

PMID:
23589486
10.

Time-resolved femtosecond photoelectron spectroscopy by field-induced surface hopping.

Mitrić R, Petersen J, Wohlgemuth M, Werner U, Bonačić-Koutecký V, Wöste L, Jortner J.

J Phys Chem A. 2011 Apr 28;115(16):3755-65. doi: 10.1021/jp106355n. Epub 2010 Oct 13.

PMID:
20939619
11.

Quantitative investigations of quantum coherence for a light-harvesting protein at conditions simulating photosynthesis.

Turner DB, Dinshaw R, Lee KK, Belsley MS, Wilk KE, Curmi PM, Scholes GD.

Phys Chem Chem Phys. 2012 Apr 14;14(14):4857-74. doi: 10.1039/c2cp23670b. Epub 2012 Feb 29.

PMID:
22374579
12.

A new approach to decoherence and momentum rescaling in the surface hopping algorithm.

Subotnik JE, Shenvi N.

J Chem Phys. 2011 Jan 14;134(2):024105. doi: 10.1063/1.3506779.

PMID:
21241078
13.

Computational vibrational spectroscopy of peptides and proteins in one and two dimensions.

Jeon J, Yang S, Choi JH, Cho M.

Acc Chem Res. 2009 Sep 15;42(9):1280-9. doi: 10.1021/ar900014e.

PMID:
19456096
14.

Evidence for wavelike energy transfer through quantum coherence in photosynthetic systems.

Engel GS, Calhoun TR, Read EL, Ahn TK, Mancal T, Cheng YC, Blankenship RE, Fleming GR.

Nature. 2007 Apr 12;446(7137):782-6.

PMID:
17429397
15.

Ring polymer molecular dynamics with surface hopping.

Shushkov P, Li R, Tully JC.

J Chem Phys. 2012 Dec 14;137(22):22A549. doi: 10.1063/1.4766449.

PMID:
23249086
16.
17.

Decoherence in weakly coupled excitonic complexes.

Mančal T, Balevičius V, Valkunas L.

J Phys Chem A. 2011 Apr 28;115(16):3845-58. doi: 10.1021/jp108247a. Epub 2011 Feb 22.

PMID:
21338152
18.

Photochemical reactions in biological systems: probing the effect of the environment by means of hybrid quantum chemistry/molecular mechanics simulations.

Boggio-Pasqua M, Burmeister CF, Robb MA, Groenhof G.

Phys Chem Chem Phys. 2012 Jun 14;14(22):7912-28. doi: 10.1039/c2cp23628a. Epub 2012 Apr 26. Review.

PMID:
22534732
19.
20.

Including quantum decoherence in surface hopping.

Granucci G, Persico M, Zoccante A.

J Chem Phys. 2010 Oct 7;133(13):134111. doi: 10.1063/1.3489004.

PMID:
20942527

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