653 related articles for article (PubMed ID: 24033226)
1. Multiscale simulation of the ground and photo-induced charge-separated states of a molecular triad in polar organic solvent: exploring the conformations, fluctuations, and free energy landscapes.
Balamurugan D; Aquino AJ; de Dios F; Flores L; Lischka H; Cheung MS
J Phys Chem B; 2013 Oct; 117(40):12065-75. PubMed ID: 24033226
[TBL] [Abstract][Full Text] [Related]
2. Induced polarization restricts the conformational distribution of a light-harvesting molecular triad in the ground state.
Starovoytov ON; Zhang P; Cieplak P; Cheung MS
Phys Chem Chem Phys; 2017 Aug; 19(34):22969-22980. PubMed ID: 28815237
[TBL] [Abstract][Full Text] [Related]
3. Multiscale simulation on a light-harvesting molecular triad.
Su G; Czader A; Homouz D; Bernardes G; Mateen S; Cheung MS
J Phys Chem B; 2012 Jul; 116(29):8460-73. PubMed ID: 22352456
[TBL] [Abstract][Full Text] [Related]
4. DFT Calculations on Charge-Transfer States of a Carotenoid-Porphyrin-C60 Molecular Triad.
Baruah T; Pederson MR
J Chem Theory Comput; 2009 Apr; 5(4):834-43. PubMed ID: 26609590
[TBL] [Abstract][Full Text] [Related]
5. The roles of electronic exchange and correlation in charge-transfer- to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase.
Glover WJ; Larsen RE; Schwartz BJ
J Chem Phys; 2008 Oct; 129(16):164505. PubMed ID: 19045282
[TBL] [Abstract][Full Text] [Related]
6. Unraveling the Mechanism of Photoinduced Charge Transfer in Carotenoid-Porphyrin-C60 Molecular Triad.
Manna AK; Balamurugan D; Cheung MS; Dunietz BD
J Phys Chem Lett; 2015 Apr; 6(7):1231-7. PubMed ID: 26262978
[TBL] [Abstract][Full Text] [Related]
7. Importance of polarization in quantum mechanics/molecular mechanics descriptions of electronic excited states: NaI(H2O)n photodissociation dynamics as a case study.
Koch DM; Peslherbe GH
J Phys Chem B; 2008 Jan; 112(2):636-49. PubMed ID: 18183959
[TBL] [Abstract][Full Text] [Related]
8. Ultrafast charge-transfer-to-solvent dynamics of iodide in tetrahydrofuran. 2. Photoinduced electron transfer to counterions in solution.
Bragg AE; Schwartz BJ
J Phys Chem A; 2008 Apr; 112(16):3530-43. PubMed ID: 18386855
[TBL] [Abstract][Full Text] [Related]
9. 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; 45(2):265-75. PubMed ID: 21882809
[TBL] [Abstract][Full Text] [Related]
10. Energy and electron transfer in beta-alkynyl-linked porphyrin-[60]fullerene dyads.
Vail SA; Schuster DI; Guldi DM; Isosomppi M; Tkachenko N; Lemmetyinen H; Palkar A; Echegoyen L; Chen X; Zhang JZ
J Phys Chem B; 2006 Jul; 110(29):14155-66. PubMed ID: 16854114
[TBL] [Abstract][Full Text] [Related]
11. Discrimination between native and intentionally misfolded conformations of proteins: ES/IS, a new method for calculating conformational free energy that uses both dynamics simulations with an explicit solvent and an implicit solvent continuum model.
Vorobjev YN; Almagro JC; Hermans J
Proteins; 1998 Sep; 32(4):399-413. PubMed ID: 9726412
[TBL] [Abstract][Full Text] [Related]
12. The effect of structural changes on charge transfer states in a light-harvesting carotenoid-diaryl-porphyrin-C60 molecular triad.
Olguin M; Basurto L; Zope RR; Baruah T
J Chem Phys; 2014 May; 140(20):204309. PubMed ID: 24880282
[TBL] [Abstract][Full Text] [Related]
13. The ultrafast charge-transfer-to-solvent dynamics of iodide in tetrahydrofuran. 1. Exploring the roles of solvent and solute electronic structure in condensed-phase charge-transfer reactions.
Bragg AE; Schwartz BJ
J Phys Chem B; 2008 Jan; 112(2):483-94. PubMed ID: 18085770
[TBL] [Abstract][Full Text] [Related]
14. Short-range and long-range solvent effects on charge-transfer-to-solvent transitions of I- and K+I- contact ion pair dissolved in supercritical ammonia.
Sciaini G; Fernández-Prini R; Estrin DA; Marceca E
J Chem Phys; 2007 May; 126(17):174504. PubMed ID: 17492871
[TBL] [Abstract][Full Text] [Related]
15. First principles multielectron mixed quantum/classical simulations in the condensed phase. II. The charge-transfer-to-solvent states of sodium anions in liquid tetrahydrofuran.
Glover WJ; Larsen RE; Schwartz BJ
J Chem Phys; 2010 Apr; 132(14):144102. PubMed ID: 20405980
[TBL] [Abstract][Full Text] [Related]
16. Charge and energy transfer in a bithiophene perylenediimide based donor-acceptor-donor system for use in organic photovoltaics.
Wenzel J; Dreuw A; Burghardt I
Phys Chem Chem Phys; 2013 Jul; 15(28):11704-16. PubMed ID: 23753008
[TBL] [Abstract][Full Text] [Related]
17. The role of solvent structure in the absorption spectrum of solvated electrons: mixed quantum/classical simulations in tetrahydrofuran.
Bedard-Hearn MJ; Larsen RE; Schwartz BJ
J Chem Phys; 2005 Apr; 122(13):134506. PubMed ID: 15847480
[TBL] [Abstract][Full Text] [Related]
18. Efficiency of intramolecular charge separation from the second excited state: suppression of the hot charge recombination by electron transfer to the secondary acceptor.
Feskov SV; Ivanov AI
J Phys Chem A; 2013 Nov; 117(45):11479-89. PubMed ID: 24102350
[TBL] [Abstract][Full Text] [Related]
19. A semiempirical study for the ground and excited states of free-base and zinc porphyrin-fullerene dyads.
Parusel AB
J Photochem Photobiol B; 2000; 55(2-3):188-95. PubMed ID: 10942085
[TBL] [Abstract][Full Text] [Related]
20. Temperature-dependent mechanistic transition for photoinduced electron transfer modulated by excited-state vibrational relaxation dynamics.
Kang YK; Duncan TV; Therien MJ
J Phys Chem B; 2007 Jun; 111(24):6829-38. PubMed ID: 17489628
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]