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123 Chapter 6. Electron Transfer in Fullerene DSSCs 6.2 Theoretical Estimation of the Rate of Photoinduced Charge Transfer Reactions in Triphenylamine C 60 Donor-Acceptor Conjugate Martínez, J.P.; Solà, M.; Voityuk, A.A., Theoretical Estimation of the Rate of Photoinduced Charge Transfer Reactions in Triphenylamine C60 Donor-Acceptor Conjugate, J. Comput. Chem. 2016, 37, 1396 1405. J.P.M. participated in the design of the project, performed all the calculations, analyzed the results, and co-wrote the manuscript.
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Page 1: 6.2 Theoretical Estimation of the Rate of Photoinduced Charge Transfer … 6.2.pdf · photoinduced charge transfer reactions in fullerene heterojunc- tions. @ 2016 Wiley Periodicals,

123 Chapter 6. Electron Transfer in Fullerene DSSCs

6.2 Theoretical Estimation of the Rate of

Photoinduced Charge Transfer Reactions in

Triphenylamine C60 Donor-Acceptor Conjugate

Martínez, J.P.; Solà, M.; Voityuk, A.A., Theoretical Estimation of the Rate of

Photoinduced Charge Transfer Reactions in Triphenylamine C60 Donor-Acceptor

Conjugate, J. Comput. Chem. 2016, 37, 1396 – 1405.

J.P.M. participated in the design of the project, performed all the calculations, analyzed the

results, and co-wrote the manuscript.

Page 2: 6.2 Theoretical Estimation of the Rate of Photoinduced Charge Transfer … 6.2.pdf · photoinduced charge transfer reactions in fullerene heterojunc- tions. @ 2016 Wiley Periodicals,

124 Rates of CT Reactions in TPA-C60

Page 3: 6.2 Theoretical Estimation of the Rate of Photoinduced Charge Transfer … 6.2.pdf · photoinduced charge transfer reactions in fullerene heterojunc- tions. @ 2016 Wiley Periodicals,

125 Chapter 6. Electron Transfer in Fullerene DSSCs

Page 4: 6.2 Theoretical Estimation of the Rate of Photoinduced Charge Transfer … 6.2.pdf · photoinduced charge transfer reactions in fullerene heterojunc- tions. @ 2016 Wiley Periodicals,

126 Rates of CT Reactions in TPA-C60

Page 5: 6.2 Theoretical Estimation of the Rate of Photoinduced Charge Transfer … 6.2.pdf · photoinduced charge transfer reactions in fullerene heterojunc- tions. @ 2016 Wiley Periodicals,

127 Chapter 6. Electron Transfer in Fullerene DSSCs

Page 6: 6.2 Theoretical Estimation of the Rate of Photoinduced Charge Transfer … 6.2.pdf · photoinduced charge transfer reactions in fullerene heterojunc- tions. @ 2016 Wiley Periodicals,

128 Rates of CT Reactions in TPA-C60

Page 7: 6.2 Theoretical Estimation of the Rate of Photoinduced Charge Transfer … 6.2.pdf · photoinduced charge transfer reactions in fullerene heterojunc- tions. @ 2016 Wiley Periodicals,

129 Chapter 6. Electron Transfer in Fullerene DSSCs

Page 8: 6.2 Theoretical Estimation of the Rate of Photoinduced Charge Transfer … 6.2.pdf · photoinduced charge transfer reactions in fullerene heterojunc- tions. @ 2016 Wiley Periodicals,

130 Rates of CT Reactions in TPA-C60

Page 9: 6.2 Theoretical Estimation of the Rate of Photoinduced Charge Transfer … 6.2.pdf · photoinduced charge transfer reactions in fullerene heterojunc- tions. @ 2016 Wiley Periodicals,

131 Chapter 6. Electron Transfer in Fullerene DSSCs

Page 10: 6.2 Theoretical Estimation of the Rate of Photoinduced Charge Transfer … 6.2.pdf · photoinduced charge transfer reactions in fullerene heterojunc- tions. @ 2016 Wiley Periodicals,

132 Rates of CT Reactions in TPA-C60

Page 11: 6.2 Theoretical Estimation of the Rate of Photoinduced Charge Transfer … 6.2.pdf · photoinduced charge transfer reactions in fullerene heterojunc- tions. @ 2016 Wiley Periodicals,

133 Chapter 6. Electron Transfer in Fullerene DSSCs

Page 12: 6.2 Theoretical Estimation of the Rate of Photoinduced Charge Transfer … 6.2.pdf · photoinduced charge transfer reactions in fullerene heterojunc- tions. @ 2016 Wiley Periodicals,

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