Detalhe da pesquisa
1.
Photoinduced Energy Transfer in Linear Guest-Host Chromophores: A Computational Study.
J Phys Chem A
; 125(24): 5303-5313, 2021 Jun 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-34106721
2.
Vibrational energy redistribution during donor-acceptor electronic energy transfer: criteria to identify subsets of active normal modes.
Phys Chem Chem Phys
; 22(33): 18454-18466, 2020 Sep 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-32776046
3.
Photoexcited energy relaxation and vibronic couplings in π-conjugated carbon nanorings.
Phys Chem Chem Phys
; 22(27): 15321-15332, 2020 Jul 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-32628225
4.
Photoinduced non-adiabatic energy transfer pathways in dendrimer building blocks.
J Chem Phys
; 150(12): 124301, 2019 Mar 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30927877
5.
Energy transfer and spatial scrambling of an exciton in a conjugated dendrimer.
Phys Chem Chem Phys
; 20(47): 29648-29660, 2018 Dec 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-30465570
6.
Photoinduced dynamics in cycloparaphenylenes: planarization, electron-phonon coupling, localization and intra-ring migration of the electronic excitation.
Phys Chem Chem Phys
; 19(45): 30914-30924, 2017 Nov 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-29134997
7.
Vibrational states of nano-confined water molecules in beryl investigated by first-principles calculations and optical experiments.
Phys Chem Chem Phys
; 19(45): 30740-30748, 2017 Nov 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-29125156
8.
Ultrafast electronic energy relaxation in a conjugated dendrimer leading to inter-branch energy redistribution.
Phys Chem Chem Phys
; 18(36): 25080-25089, 2016 Sep 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-27711661
9.
Nonequilibrium solvent effects in Born-Oppenheimer molecular dynamics for ground and excited electronic states.
J Chem Phys
; 144(15): 154104, 2016 Apr 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-27389206
10.
Solvent effects in time-dependent self-consistent field methods. II. Variational formulations and analytical gradients.
J Chem Phys
; 143(5): 054305, 2015 Aug 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-26254651
11.
Solvent effects in time-dependent self-consistent field methods. I. Optical response calculations.
J Chem Phys
; 142(4): 044103, 2015 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-25637965
12.
Computational study of photoexcited dynamics in bichromophoric cross-shaped oligofluorene.
J Phys Chem A
; 118(45): 10742-53, 2014 Nov 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-25341055
13.
Shishiodoshi unidirectional energy transfer mechanism in phenylene ethynylene dendrimers.
J Chem Phys
; 137(22): 22A526, 2012 Dec 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-23249063
14.
Electronic Energy Relaxation in a Photoexcited Fully Fused Edge-Sharing Carbon Nanobelt.
J Phys Chem Lett
; 11(12): 4711-4719, 2020 Jun 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-32464064
15.
Vibronic Quantum Beating between Electronic Excited States in a Heterodimer.
J Phys Chem B
; 124(19): 3992-4001, 2020 05 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-32309948
16.
Photoinduced Dynamics with Constrained Vibrational Motion: FrozeNM Algorithm.
J Chem Theory Comput
; 16(12): 7289-7298, 2020 Dec 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-33201709
17.
Fluorescence quenching in an organic donor-acceptor dyad: a first principles study.
J Chem Phys
; 131(3): 034310, 2009 Jul 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-19624200
18.
How chromophore shape determines the spectroscopy of phenylene-vinylenes: origin of spectral broadening in the absence of aggregation.
J Phys Chem B
; 112(16): 4859-64, 2008 Apr 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-18373378
19.
Extended Lagrangian Excited State Molecular Dynamics.
J Chem Theory Comput
; 14(2): 799-806, 2018 Feb 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-29316401
20.
Scaling law for excitons in 2D perovskite quantum wells.
Nat Commun
; 9(1): 2254, 2018 06 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-29884900