A new protocol for the identification of singlet fission sensitizers through computational screening

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