206 related articles for article (PubMed ID: 25413342)
1. Theoretical analysis of excited states and energy transfer mechanism in conjugated dendrimers.
Huang J; Du L; Hu D; Lan Z
J Comput Chem; 2015 Jan; 36(3):151-63. PubMed ID: 25413342
[TBL] [Abstract][Full Text] [Related]
2. Beyond Time-Dependent Density Functional Theory Using Only Single Excitations: Methods for Computational Studies of Excited States in Complex Systems.
Herbert JM; Zhang X; Morrison AF; Liu J
Acc Chem Res; 2016 May; 49(5):931-41. PubMed ID: 27100899
[TBL] [Abstract][Full Text] [Related]
3. Shishiodoshi unidirectional energy transfer mechanism in phenylene ethynylene dendrimers.
Fernandez-Alberti S; Roitberg AE; Kleiman VD; Nelson T; Tretiak S
J Chem Phys; 2012 Dec; 137(22):22A526. PubMed ID: 23249063
[TBL] [Abstract][Full Text] [Related]
4. Dynamics of Energy Transfer in a Conjugated Dendrimer Driven by Ultrafast Localization of Excitations.
Galindo JF; Atas E; Altan A; Kuroda DG; Fernandez-Alberti S; Tretiak S; Roitberg AE; Kleiman VD
J Am Chem Soc; 2015 Sep; 137(36):11637-44. PubMed ID: 26122872
[TBL] [Abstract][Full Text] [Related]
5. Nonadiabatic excited-state molecular dynamics: modeling photophysics in organic conjugated materials.
Nelson T; Fernandez-Alberti S; Roitberg AE; Tretiak S
Acc Chem Res; 2014 Apr; 47(4):1155-64. PubMed ID: 24673100
[TBL] [Abstract][Full Text] [Related]
6. Electronically excited states of vitamin B12: benchmark calculations including time-dependent density functional theory and correlated ab initio methods.
Kornobis K; Kumar N; Wong BM; Lodowski P; Jaworska M; Andruniów T; Ruud K; Kozlowski PM
J Phys Chem A; 2011 Feb; 115(7):1280-92. PubMed ID: 21280654
[TBL] [Abstract][Full Text] [Related]
7. Excited-state localization and energy transfer in pyrene core dendrimers with fluorene/carbazole as the dendrons and acetylene as the linkages.
Yan L; Wan Y; Xia A; Lin SH; Huang R
Phys Chem Chem Phys; 2016 Feb; 18(5):4134-43. PubMed ID: 26782968
[TBL] [Abstract][Full Text] [Related]
8. Intermediate state representation approach to physical properties of electronically excited molecules.
Schirmer J; Trofimov AB
J Chem Phys; 2004 Jun; 120(24):11449-64. PubMed ID: 15268179
[TBL] [Abstract][Full Text] [Related]
9. DFT and TDDFT study related to electron transfer in nonbonded porphine...C60 complexes.
Toivonen TL; Hukka TI; Cramariuc O; Rantala TT; Lemmetyinen H
J Phys Chem A; 2006 Nov; 110(44):12213-21. PubMed ID: 17078617
[TBL] [Abstract][Full Text] [Related]
10. Electric-Field-Assisted Electron Transfer in a Porphine-Quinone Complex: A Theoretical Study.
Aittala PJ; Cramariuc O; Hukka TI
J Chem Theory Comput; 2010 Mar; 6(3):805-16. PubMed ID: 26613308
[TBL] [Abstract][Full Text] [Related]
11. Orbital-Optimized Versus Time-Dependent Density Functional Calculations of Intramolecular Charge Transfer Excited States.
Selenius E; Sigurdarson AE; Schmerwitz YLA; Levi G
J Chem Theory Comput; 2024 May; 20(9):3809-3822. PubMed ID: 38695313
[TBL] [Abstract][Full Text] [Related]
12. Ultrafast electronic energy relaxation in a conjugated dendrimer leading to inter-branch energy redistribution.
Ondarse-Alvarez D; Kömürlü S; Roitberg AE; Pierdominici-Sottile G; Tretiak S; Fernandez-Alberti S; Kleiman VD
Phys Chem Chem Phys; 2016 Sep; 18(36):25080-25089. PubMed ID: 27711661
[TBL] [Abstract][Full Text] [Related]
13. Optical excitations of defects in realistic nanoscale silica clusters: comparing the performance of density functional theory using hybrid functionals with correlated wavefunction methods.
Zwijnenburg MA; Sousa C; Sokol AA; Bromley ST
J Chem Phys; 2008 Jul; 129(1):014706. PubMed ID: 18624495
[TBL] [Abstract][Full Text] [Related]
14. Excited state absorption properties of Pt(II) terpyridyl complexes bearing π-conjugated arylacetylides.
Wang X; Goeb S; Ji Z; Castellano FN
J Phys Chem B; 2010 Nov; 114(45):14440-9. PubMed ID: 20469901
[TBL] [Abstract][Full Text] [Related]
15. A theoretical, spectroscopic, and photophysical study of 2,7-carbazolenevinylene-based conjugated derivatives.
Belletête M; Morin JF; Leclerc M; Durocher G
J Phys Chem A; 2005 Aug; 109(31):6953-9. PubMed ID: 16834054
[TBL] [Abstract][Full Text] [Related]
16. Failure of time-dependent density functional theory for long-range charge-transfer excited states: the zincbacteriochlorin-bacteriochlorin and bacteriochlorophyll-spheroidene complexes.
Dreuw A; Head-Gordon M
J Am Chem Soc; 2004 Mar; 126(12):4007-16. PubMed ID: 15038755
[TBL] [Abstract][Full Text] [Related]
17. Extending the light-harvesting properties of transition-metal dendrimers.
Larsen J; Puntoriero F; Pascher T; McClenaghan N; Campagna S; Akesson E; Sundström V
Chemphyschem; 2007 Dec; 8(18):2643-51. PubMed ID: 18058779
[TBL] [Abstract][Full Text] [Related]
18. Time-dependent density functional theory (TDDFT) study of the excited charge-transfer state formation of a series of aromatic donor-acceptor systems.
Jamorski Jödicke C; Lüthi HP
J Am Chem Soc; 2003 Jan; 125(1):252-64. PubMed ID: 12515528
[TBL] [Abstract][Full Text] [Related]
19. Substituted diphenyl butadiynes: a computational study of geometries and electronic transitions using DFT/TD-DFT.
Pati AK; Gharpure SJ; Mishra AK
Phys Chem Chem Phys; 2014 Jul; 16(27):14015-28. PubMed ID: 24898501
[TBL] [Abstract][Full Text] [Related]
20. Conformational effects on the lowest excited states of benzoyl-pyrrolopyridazine: insights from PCM time-dependent DFT.
Maftei D; Zbancioc G; Humelnicu I; Mangalagiu I
J Phys Chem A; 2013 Apr; 117(15):3165-75. PubMed ID: 23527600
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
