Properties of noncovalent tetraphenylporphine⋯C60 dyads as studied by different long-range and dispersion-corrected DFT functionals
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Title
Properties of noncovalent tetraphenylporphine⋯C60 dyads as studied by different long-range and dispersion-corrected DFT functionals
Authors
Keywords
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Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 17, Issue 41, Pages 27399-27408
Publisher
Royal Society of Chemistry (RSC)
Online
2015-09-21
DOI
10.1039/c5cp03921e
References
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Related references
Note: Only part of the references are listed.- Dispersion-Corrected Density Functional Theory Calculations of meso-Tetraphenylporphine-C60 Complex by Using DMol3 Module
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- (2013) Ulises Jiménez Castillo et al. ORGANIC ELECTRONICS
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- A Density Functional Theory Study of Porphyrin–Pyridine–Fullerene Triad ZnTPP·Py·C60
- (2010) Vladimir A. Basiuk et al. Journal of Computational and Theoretical Nanoscience
- Interaction of meso-Tetraphenylporphines with C60 Fullerene: Comparison of Several Density Functional Theory Functionals Implemented in DMol3 Module
- (2010) Yevgeniy Kolokoltsev et al. Journal of Computational and Theoretical Nanoscience
- Noncovalent 1:2 Complex of meso-Tetraphenylporphine with C60 Fullerene: A Density Functional Theory Study
- (2010) Oscar Amelines-Sarria et al. Journal of Computational and Theoretical Nanoscience
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- Supramolecular Donor−Acceptor Heterojunctions by Vectorial Stepwise Assembly of Porphyrins and Coordination-Bonded Fullerene Arrays for Photocurrent Generation
- (2009) Aiko Kira et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Dispersion-corrected DFT calculations on C60-porphyrin complexes
- (2009) Meng-Sheng Liao et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Optical properties, electronic band structure, and vibrational spectrum of thin C60-TPP films
- (2009) I. B. Zakharova et al. PHYSICS OF THE SOLID STATE
- Applications of carbon materials in photovoltaic solar cells
- (2009) Hongwei Zhu et al. SOLAR ENERGY MATERIALS AND SOLAR CELLS
- Systematic optimization of long-range corrected hybrid density functionals
- (2008) Jeng-Da Chai et al. JOURNAL OF CHEMICAL PHYSICS
- Assessment of the Performance of the M05−2X and M06−2X Exchange-Correlation Functionals for Noncovalent Interactions in Biomolecules
- (2008) Edward G. Hohenstein et al. Journal of Chemical Theory and Computation
- Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections
- (2008) Jeng-Da Chai et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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