165 related articles for article (PubMed ID: 33882676)
1. First-Principles Nonadiabatic Dynamics Simulation of Azobenzene Photodynamics in Solutions.
Liang R
J Chem Theory Comput; 2021 May; 17(5):3019-3030. PubMed ID: 33882676
[TBL] [Abstract][Full Text] [Related]
2.
Yu JK; Bannwarth C; Hohenstein EG; Martínez TJ
J Chem Theory Comput; 2020 Sep; 16(9):5499-5511. PubMed ID: 32786902
[TBL] [Abstract][Full Text] [Related]
3. Nonadiabatic Dynamics Simulation of the Wavelength-Dependent Photochemistry of Azobenzene Excited to the nπ* and ππ* Excited States.
Yu JK; Bannwarth C; Liang R; Hohenstein EG; Martínez TJ
J Am Chem Soc; 2020 Dec; 142(49):20680-20690. PubMed ID: 33228358
[TBL] [Abstract][Full Text] [Related]
4. Photoisomerization dynamics and pathways of trans- and cis-azobenzene in solution from broadband femtosecond spectroscopies and calculations.
Quick M; Dobryakov AL; Gerecke M; Richter C; Berndt F; Ioffe IN; Granovsky AA; Mahrwald R; Ernsting NP; Kovalenko SA
J Phys Chem B; 2014 Jul; 118(29):8756-71. PubMed ID: 24983924
[TBL] [Abstract][Full Text] [Related]
5. Photodynamics and time-resolved fluorescence of azobenzene in solution: a mixed quantum-classical simulation.
Cusati T; Granucci G; Persico M
J Am Chem Soc; 2011 Apr; 133(13):5109-23. PubMed ID: 21401136
[TBL] [Abstract][Full Text] [Related]
6. A Fermi smearing variant of the Tamm-Dancoff approximation for nonadiabatic dynamics involving S
Peters LDM; Kussmann J; Ochsenfeld C
J Chem Phys; 2020 Sep; 153(9):094104. PubMed ID: 32891109
[TBL] [Abstract][Full Text] [Related]
7. Predictions of Pre-edge Features in Time-Resolved Near-Edge X-ray Absorption Fine Structure Spectroscopy from Hole-Hole Tamm-Dancoff-Approximated Density Functional Theory.
Hohenstein EG; Yu JK; Bannwarth C; List NH; Paul AC; Folkestad SD; Koch H; Martínez TJ
J Chem Theory Comput; 2021 Nov; 17(11):7120-7133. PubMed ID: 34623139
[TBL] [Abstract][Full Text] [Related]
8. Probing the π→π* photoisomerization mechanism of cis-azobenzene by multi-state ab initio on-the-fly trajectory dynamics simulation.
Yu L; Xu C; Zhu C
Phys Chem Chem Phys; 2015 Jul; 17(27):17646-60. PubMed ID: 26081715
[TBL] [Abstract][Full Text] [Related]
9.
Merritt ICD; Jacquemin D; Vacher M
Phys Chem Chem Phys; 2021 Sep; 23(35):19155-19165. PubMed ID: 34195720
[TBL] [Abstract][Full Text] [Related]
10. Probing the π → π* photoisomerization mechanism of trans-azobenzene by multi-state ab initio on-the-fly trajectory dynamics simulations.
Xu C; Yu L; Gu FL; Zhu C
Phys Chem Chem Phys; 2018 Sep; 20(37):23885-23897. PubMed ID: 30019063
[TBL] [Abstract][Full Text] [Related]
11. Simulation of the photodynamics of azobenzene on its first excited state: comparison of full multiple spawning and surface hopping treatments.
Toniolo A; Ciminelli C; Persico M; Martínez TJ
J Chem Phys; 2005 Dec; 123(23):234308. PubMed ID: 16392921
[TBL] [Abstract][Full Text] [Related]
12. Fast photodynamics of azobenzene probed by scanning excited-state potential energy surfaces using slow spectroscopy.
Tan EM; Amirjalayer S; Smolarek S; Vdovin A; Zerbetto F; Buma WJ
Nat Commun; 2015 Jan; 6():5860. PubMed ID: 25562840
[TBL] [Abstract][Full Text] [Related]
13. Visible Light Induced Exciton Dynamics and
Titov E
ACS Omega; 2024 Feb; 9(7):8520-8532. PubMed ID: 38405525
[TBL] [Abstract][Full Text] [Related]
14. Hole-hole Tamm-Dancoff-approximated density functional theory: A highly efficient electronic structure method incorporating dynamic and static correlation.
Bannwarth C; Yu JK; Hohenstein EG; Martínez TJ
J Chem Phys; 2020 Jul; 153(2):024110. PubMed ID: 32668944
[TBL] [Abstract][Full Text] [Related]
15. Unexplored Isomerization Pathways of Azobis(benzo-15-crown-5): Computational Studies on a Butterfly Crown Ether.
Sisodiya DS; Ali SM; Chattopadhyay A
J Phys Chem A; 2023 Aug; 127(34):7080-7093. PubMed ID: 37526572
[TBL] [Abstract][Full Text] [Related]
16. New insights into mechanistic photoisomerization of ethylene-bridged azobenzene from ab initio multiple spawning simulation.
Liu L; Wang Y; Fang Q
J Chem Phys; 2017 Feb; 146(6):064308. PubMed ID: 28201919
[TBL] [Abstract][Full Text] [Related]
17. Multiple-State Nonadiabatic Dynamics Simulation of Photoisomerization of Acetylacetone with the Direct ab Initio QTMF Approach.
Xie B; Cui G; Fang WH
J Chem Theory Comput; 2017 Jun; 13(6):2717-2729. PubMed ID: 28437107
[TBL] [Abstract][Full Text] [Related]
18. Excited-State-Selective Ultrafast Relaxation Dynamics and Photoisomerization of
Obloy LM; El-Khoury PZ; Tarnovsky AN
J Phys Chem Lett; 2022 Nov; 13(46):10863-10870. PubMed ID: 36384033
[TBL] [Abstract][Full Text] [Related]
19. Excited-state structure and dynamics of cis- and trans-Azobenzene from resonance Raman intensity analysis.
Stuart CM; Frontiera RR; Mathies RA
J Phys Chem A; 2007 Dec; 111(48):12072-80. PubMed ID: 17985852
[TBL] [Abstract][Full Text] [Related]
20. Nonadiabatic Ensemble Simulations of cis-Stilbene and cis-Azobenzene Photoisomerization.
Neukirch AJ; Shamberger LC; Abad E; Haycock BJ; Wang H; Ortega J; Prezhdo OV; Lewis JP
J Chem Theory Comput; 2014 Jan; 10(1):14-23. PubMed ID: 26579888
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]