Detalhe da pesquisa
1.
Full Electron Delocalization across the Cluster in 1,12-bisBMes2-p-carborane Radical Anion.
J Am Chem Soc
; 2024 Jun 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-38850552
2.
A CASSCF/MRCI trajectory surface hopping simulation of the photochemical dynamics and the gas phase ultrafast electron diffraction patterns of cyclobutanone.
J Chem Phys
; 160(12)2024 Mar 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-38526800
3.
Onset of spin entanglement in doped carbon nanotubes studied by EPR.
J Chem Phys
; 160(23)2024 Jun 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-38884403
4.
Ultrafast Ring Closure Reaction of Gaseous cis-Stilbene from S1(ππ*).
J Am Chem Soc
; 145(6): 3283-3288, 2023 Feb 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-36745770
5.
Chiroptical Properties of Planar Benzobisthiazole-Bridged Squaraine Dimers.
J Org Chem
; 88(15): 10777-10788, 2023 Aug 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-37487529
6.
Conformational preferences of modified nucleobases in RNA aptamers and their effect on Förster resonant energy transfer.
Phys Chem Chem Phys
; 26(1): 241-248, 2023 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-38054366
7.
Simulation of exciton spectra in disordered supramolecular polymers: exciton localization in cisoid indolenine squaraine hexamers.
Phys Chem Chem Phys
; 26(1): 219-229, 2023 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-38055887
8.
Time-resolved photoelectron spectroscopy of 4-(dimethylamino)benzethyne - an experimental and computational study.
Phys Chem Chem Phys
; 25(14): 9837-9845, 2023 Apr 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-36976260
9.
Internal conversion rates from the extended thawed Gaussian approximation: Theory and validation.
J Chem Phys
; 158(3): 034105, 2023 Jan 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-36681643
10.
Prediction of fluorescence quantum yields using the extended thawed Gaussian approximation.
J Chem Phys
; 159(23)2023 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-38108487
11.
Long-range corrected fragment molecular orbital density functional tight-binding method for excited states in large molecular systems.
J Chem Phys
; 158(4): 044121, 2023 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-36725509
12.
Quantum-classical dynamics of vibration-induced autoionization in molecules.
J Chem Phys
; 158(3): 034107, 2023 Jan 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-36681633
13.
HORTENSIA, a program package for the simulation of nonadiabatic autoionization dynamics in molecules.
J Chem Phys
; 159(13)2023 Oct 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-37787145
14.
(De)localization dynamics of molecular excitons: comparison of mixed quantum-classical and fully quantum treatments.
Phys Chem Chem Phys
; 24(20): 12136-12148, 2022 May 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-35506999
15.
Transforming Dyes into Fluorophores: Exciton-Induced Emission with Chain-like Oligo-BODIPY Superstructures.
Angew Chem Int Ed Engl
; 61(22): e202116834, 2022 May 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-35244983
16.
Ultrafast Resonance Energy Transfer in Ethylene-Bridged BODIPY Heterooligomers: From Frenkel to Förster Coupling Limit.
J Am Chem Soc
; 143(19): 7414-7425, 2021 05 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-33956430
17.
Ultrafast Ring-Opening Reaction of 1,3-Cyclohexadiene: Identification of Nonadiabatic Pathway via Doubly Excited State.
J Am Chem Soc
; 143(21): 8034-8045, 2021 06 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-34027664
18.
Solvent Induced Helix Folding of Defined Indolenine Squaraine Oligomers.
Chemistry
; 27(32): 8380-8389, 2021 Jun 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-33871113
19.
Electronic relaxation of aqueous aminoazobenzenes studied by time-resolved photoelectron spectroscopy and surface hopping TDDFT dynamics calculations.
Faraday Discuss
; 228(0): 226-241, 2021 05 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-33586720
20.
Real-time observation of photoionization-induced water migration dynamics in 4-methylformanilide-water by picosecond time-resolved infrared spectroscopy and ab initio molecular dynamics simulations.
Phys Chem Chem Phys
; 24(1): 73-85, 2021 Dec 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-34633007