A new protocol for the identification of singlet fission sensitizers through computational screening
出版年份 2021 全文链接
标题
A new protocol for the identification of singlet fission sensitizers through computational screening
作者
关键词
-
出版物
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume 42, Issue 31, Pages 2241-2249
出版商
Wiley
发表日期
2021-10-01
DOI
10.1002/jcc.26753
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Strategies for Design of Potential Singlet Fission Chromophores Utilizing a Combination of Ground State and Excited State Aromaticity Rules
- (2020) Ouissam El Bakouri et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Singlet Fission from Upper Excited Electronic States of Cofacial Perylene Dimer
- (2019) Wenjun Ni et al. Journal of Physical Chemistry Letters
- Exploiting Excited-State Aromaticity To Design Highly Stable Singlet Fission Materials
- (2019) Kealan J. Fallon et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Discovery of blue singlet exciton fission molecules via a high-throughput virtual screening and experimental approach
- (2019) Collin F. Perkinson et al. JOURNAL OF CHEMICAL PHYSICS
- Singlet Fission in Crystalline Organic Materials: Recent Insights and Future Directions
- (2019) Kevin M. Felter et al. Journal of Physical Chemistry Letters
- CF3 -Inspired Synthesis of Air-Tolerant 9-Phosphaanthracenes that Feature Fluorescence and Crystalline Polymorphs
- (2018) Shigekazu Ito et al. Chemistry-An Asian Journal
- Potential Use of Squarates and Croconates as Singlet Fission Sensitizers
- (2018) D. López-Carballeira et al. CHEMPHYSCHEM
- Self-Consistent Field Calculation of Nuclear Magnetic Resonance Chemical Shielding Constants Using Gauge-Including Atomic Orbitals and Approximate Two-Electron Integrals
- (2018) Georgi L. Stoychev et al. Journal of Chemical Theory and Computation
- Development of a TDDFT-Based Protocol with Local Hybrid Functionals for the Screening of Potential Singlet Fission Chromophores
- (2017) Robin Grotjahn et al. Journal of Chemical Theory and Computation
- Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules
- (2017) Irene Georgiou et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Theoretical design of conjugated diradicaloids as singlet fission sensitizers: quinones and methylene derivatives
- (2017) Diego López-Carballeira et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Benchmarks for Ground-State Properties
- (2016) Pavlo O. Dral et al. Journal of Chemical Theory and Computation
- Evaluation of modern DFT functionals and G3n-RAD composite methods in the modelization of organic singlet diradicals
- (2016) Diego López-Carballeira et al. JOURNAL OF MOLECULAR MODELING
- Isolation of [Ru(IPr)2(CO)H]+ (IPr = 1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene) and Reactivity toward E–H (E = H, B) Bonds
- (2016) Ian M. Riddlestone et al. ORGANOMETALLICS
- The Cambridge Structural Database
- (2016) Colin R. Groom et al. Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials
- Singlet Exciton Fission in Thin Films of tert-Butyl-Substituted Terrylenes
- (2015) Samuel W. Eaton et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Intra- to Intermolecular Singlet Fission
- (2015) M. Tuan Trinh et al. Journal of Physical Chemistry C
- Beyond Shockley–Queisser: Molecular Approaches to High-Efficiency Photovoltaics
- (2015) Murad J. Y. Tayebjee et al. Journal of Physical Chemistry Letters
- Excited-State Dynamics in an α-Perylene Single Crystal: Two-Photon- and Consecutive Two-Quantum-Induced Singlet Fission
- (2014) Lin Ma et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Seeking Small Molecules for Singlet Fission: A Heteroatom Substitution Strategy
- (2014) Tao Zeng et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Multiphonon Relaxation Slows Singlet Fission in Crystalline Hexacene
- (2014) Erik Busby et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- A transferable model for singlet-fission kinetics
- (2014) Shane R. Yost et al. Nature Chemistry
- Singlet Exciton Fission Photovoltaics
- (2013) Jiye Lee et al. ACCOUNTS OF CHEMICAL RESEARCH
- Recent Advances in Singlet Fission
- (2013) Millicent B. Smith et al. Annual Review of Physical Chemistry
- Diradicals
- (2013) Manabu Abe CHEMICAL REVIEWS
- Facile Synthesis and Lateral π-Expansion of Bisanthenes
- (2013) Akihito Konishi et al. CHEMISTRY LETTERS
- Singlet Exciton Fission in Polycrystalline Thin Films of a Slip-Stacked Perylenediimide
- (2013) Samuel W. Eaton et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- External Quantum Efficiency Above 100% in a Singlet-Exciton-Fission-Based Organic Photovoltaic Cell
- (2013) D. N. Congreve et al. SCIENCE
- Diradical Character View of Singlet Fission
- (2011) Takuya Minami et al. Journal of Physical Chemistry Letters
- The ORCA program system
- (2011) Frank Neese Wiley Interdisciplinary Reviews-Computational Molecular Science
- Singlet Fission
- (2010) Millicent B. Smith et al. CHEMICAL REVIEWS
- Exciton Fission and Charge Generation via Triplet Excitons in Pentacene/C60Bilayers
- (2010) Akshay Rao et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- High Triplet Yield from Singlet Fission in a Thin Film of 1,3-Diphenylisobenzofuran
- (2010) Justin C. Johnson et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- High efficiency organic multilayer photodetectors based on singlet exciton fission
- (2009) J. Lee et al. APPLIED PHYSICS LETTERS
- Anthra[2,3-b]benzo[d]thiophene: An Air-Stable Asymmetric Organic Semiconductor with High Mobility at Room Temperature
- (2008) Chunyan Du et al. CHEMISTRY OF MATERIALS
- The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06 functionals and 12 other functionals
- (2008) Yan Zhao et al. THEORETICAL CHEMISTRY ACCOUNTS
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