Role of Fluorophore–Metal Interaction in Photoinduced Electron Transfer (PET) Sensors: Time-Dependent Density Functional Theory (TDDFT) Study

The Journal of Physical Chemistry A ◽

10.1021/jp406624p ◽

2013 ◽

Vol 117 (50) ◽

pp. 13345-13355 ◽

Author(s):

Hyunjung Lee ◽

Robert D. Hancock ◽

Hee-Seung Lee

Keyword(s):

Density Functional Theory ◽

Electron Transfer ◽

Photoinduced Electron Transfer ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Metal Interaction ◽

Dependent Density

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Investigation of photoinduced electron transfer in model system of vitamin E-duroquinone by time-dependent density functional theory

The Journal of Chemical Physics ◽

10.1063/1.1729889 ◽

2004 ◽

Vol 120 (21) ◽

pp. 10025-10032 ◽

Author(s):

Xiao-Hui Duan ◽

Ze-Rong Li ◽

Xiang-Yuan Li ◽

Liu-Ming Li

Keyword(s):

Density Functional Theory ◽

Electron Transfer ◽

Vitamin E ◽

Photoinduced Electron Transfer ◽

Density Functional ◽

Model System ◽

Time Dependent ◽

Functional Theory ◽

Dependent Density

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Time-Dependent Density Functional Theory Investigations on the Excited States of Ru(II)-Dye-Sensitized TiO2Nanoparticles: The Role of Sensitizer Protonation

Journal of the American Chemical Society ◽

10.1021/ja076293e ◽

2007 ◽

Vol 129 (46) ◽

pp. 14156-14157 ◽

Author(s):

Filippo De Angelis ◽

Simona Fantacci ◽

Annabella Selloni ◽

Mohammad K. Nazeeruddin ◽

Michael Grätzel

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Dye Sensitized ◽

Dependent Density

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Multi-Electron Transfer of Ar+ Colliding with Ne Atoms Based on a Time-Dependent Density-Functional Theory

Chinese Physics Letters ◽

10.1088/0256-307x/38/6/063101 ◽

2021 ◽

Vol 38 (6) ◽

pp. 063101

Author(s):

Shuai Qin ◽

Cong-Zhang Gao ◽

Wandong Yu ◽

Yi-Zhi Qu

Keyword(s):

Density Functional Theory ◽

Electron Transfer ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Dependent Density

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Excited state proton-coupled electron transfer in 8-oxoG–C and 8-oxoG–A base pairs: a time dependent density functional theory (TD-DFT) study

Photochemical & Photobiological Sciences ◽

10.1039/c3pp25430e ◽

2013 ◽

Vol 12 (8) ◽

pp. 1328 ◽

Author(s):

Anil Kumar ◽

Michael D. Sevilla

Keyword(s):

Density Functional Theory ◽

Electron Transfer ◽

Excited State ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Proton Coupled Electron Transfer ◽

Td Dft ◽

Dependent Density

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Electronic couplings for photo-induced processes from subsystem time-dependent density-functional theory: The role of the diabatization

The Journal of Chemical Physics ◽

10.1063/5.0022677 ◽

2020 ◽

Vol 153 (18) ◽

pp. 184113

Author(s):

Johannes Tölle ◽

Lorenzo Cupellini ◽

Benedetta Mennucci ◽

Johannes Neugebauer

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Dependent Density

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A study on photo-induced intramolecular electron-transfer in fullerene-benzothiadiazole-triphenylamine using time-dependent density functional theory

Organic Electronics ◽

10.1016/j.orgel.2012.10.014 ◽

2013 ◽

Vol 14 (1) ◽

pp. 105-114 ◽

Author(s):

Huixue Li ◽

Sujuan Pan ◽

Xiaofeng Wang ◽

Zhifeng Li ◽

Huian Tang ◽

...

Keyword(s):

Density Functional Theory ◽

Electron Transfer ◽

Density Functional ◽

Time Dependent ◽

Intramolecular Electron Transfer ◽

Functional Theory ◽

Dependent Density

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Photo-induced Electron Transfer or Proton-Coupled Electron Transfer in Methylbipyridine/Phenol Complexes: A Time-Dependent Density Functional Theory Investigation

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b06274 ◽

2019 ◽

Vol 123 (38) ◽

pp. 8122-8129 ◽

Author(s):

Tousif Hossen ◽

Kalyanasis Sahu

Keyword(s):

Density Functional Theory ◽

Electron Transfer ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Proton Coupled Electron Transfer ◽

Photo Induced Electron Transfer ◽

Dependent Density

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The role of Herzberg-Teller effects on the resonance Raman spectrum of trans-porphycene investigated by time dependent density functional theory

The Journal of Chemical Physics ◽

10.1063/1.5023653 ◽

2018 ◽

Vol 148 (12) ◽

pp. 124107 ◽

Author(s):

Julien Guthmuller

Keyword(s):

Density Functional Theory ◽

Raman Spectrum ◽

Density Functional ◽

Resonance Raman ◽

Time Dependent ◽

Resonance Raman Spectrum ◽

Functional Theory ◽

Dependent Density

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Time-Dependent Density Functional Theory Investigation of Electric Field Effects on Absorption Spectra of Meso−Meso-Linked Zinc Porphyrin Arrays: Role of Charge-Transfer States

The Journal of Physical Chemistry B ◽

10.1021/jp050720y ◽

2005 ◽

Vol 109 (29) ◽

pp. 13921-13927 ◽

Author(s):

Katsunori Nakai ◽

Riadh Sahnoun ◽

Tsuyoshi Kato ◽

Hirohiko Kono ◽

Yuichi Fujimura

Keyword(s):

Density Functional Theory ◽

Charge Transfer ◽

Electric Field ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Electric Field Effects ◽

Zinc Porphyrin ◽

Dependent Density

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The role of exchange and correlation in time-dependent density-functional theory for photoionization

The Journal of Chemical Physics ◽

10.1063/1.1364675 ◽

2001 ◽

Vol 114 (18) ◽

pp. 7816-7829 ◽

Author(s):

M. Stener ◽

P. Decleva ◽

A. Görling

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Dependent Density ◽

Exchange And Correlation

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