Singlet Fission
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journal
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November 2010 |
Recent Advances in Singlet Fission
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journal
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April 2013 |
Singlet Fission: Optimization of Chromophore Dimer Geometry
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book
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May 2017 |
Theoretical Modeling of Singlet Fission
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journal
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April 2018 |
Triplet Pair States in Singlet Fission
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journal
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January 2019 |
Solar conversion efficiency of photovoltaic and photoelectrolysis cells with carrier multiplication absorbers
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journal
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October 2006 |
Detailed Balance Limit of Efficiency of p‐n Junction Solar Cells
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journal
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March 1961 |
Molecular Packing and Singlet Fission: The Parent and Three Fluorinated 1,3-Diphenylisobenzofurans
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journal
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March 2019 |
The Quantum Coherent Mechanism for Singlet Fission: Experiment and Theory
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journal
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April 2013 |
Effects of Charge Transfer State and Exciton Migration on Singlet Fission Dynamics in Organic Aggregates
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journal
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June 2016 |
Functional Mode Singlet Fission Theory
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journal
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February 2017 |
Singlet fission in pancake-bonded systems
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journal
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January 2017 |
Monte Carlo Wavefunction Approach to Singlet Fission Dynamics of Molecular Aggregates
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journal
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February 2019 |
Microscopic theory of singlet exciton fission. I. General formulation
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journal
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March 2013 |
Microscopic theory of singlet exciton fission. II. Application to pentacene dimers and the role of superexchange
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journal
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March 2013 |
Multiphonon Relaxation Slows Singlet Fission in Crystalline Hexacene
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journal
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July 2014 |
Electron transfer reactions in chemistry. Theory and experiment
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journal
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July 1993 |
Electrostatic Free Energy and Other Properties of States Having Nonequilibrium Polarization. I
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journal
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May 1956 |
Electron transfers in chemistry and biology
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journal
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August 1985 |
Microscopic theory of singlet exciton fission. III. Crystalline pentacene
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journal
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August 2014 |
A note on triplet-triplet fission of singlet excitons in molecular crystals
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journal
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July 1972 |
Triplet Excitons in Crystals of Aromatic Molecules
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journal
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January 1965 |
Guidance for Mutual Disposition of Chromophores for Singlet Fission
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journal
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October 2015 |
On the Nature of Nonplanarity in the [N]Phenylenes
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journal
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November 1999 |
How Morphology Affects Singlet Fission in Crystalline Tetracene
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journal
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May 2015 |
The energy barrier in singlet fission can be overcome through coherent coupling and entropic gain
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journal
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August 2012 |
The dependence of singlet exciton relaxation on excitation density and temperature in polycrystalline tetracene thin films: Kinetic evidence for a dark intermediate state and implications for singlet fission
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journal
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December 2011 |
A Simple Kinetic Model for Singlet Fission: A Role of Electronic and Entropic Contributions to Macroscopic Rates
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journal
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February 2014 |
Electronic Structure Study of Singlet Fission in Tetracene Derivatives
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journal
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November 2013 |
Explorative computational study of the singlet fission process
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journal
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April 2012 |
Evidence for Singlet Fission Driven by Vibronic Coherence in Crystalline Tetracene
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journal
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March 2017 |
Density Analysis of Intra- and Intermolecular Vibronic Couplings toward Bath Engineering for Singlet Fission
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journal
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December 2015 |
Observing the Multiexciton State in Singlet Fission and Ensuing Ultrafast Multielectron Transfer
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journal
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December 2011 |
Packing Guidelines for Optimizing Singlet Fission Matrix Elements in Noncovalent Dimers
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journal
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October 2017 |
Deduction of the Zero Differential Overlap Approximation from an Orthogonal Atomic Orbital Basis
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journal
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March 1965 |
NBO 6.0 : Natural bond orbital analysis program
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journal
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March 2013 |
Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
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journal
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September 1988 |
The Spectra and Electronic Structure of the Tetrahedral Ions MnO 4 − , CrO 4 −− , and ClO 4 −
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journal
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May 1952 |
An Extended Hückel Theory. I. Hydrocarbons
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journal
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September 1963 |
Magneto-optical activity: Gauge-invariant calculations in the random-phase approximation
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journal
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December 1972 |
Predicting Accurate Electronic Excitation Transfer Rates via Marcus Theory with Boys or Edmiston−Ruedenberg Localized Diabatization †
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journal
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August 2010 |
The ORCA program system: The ORCA program system
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journal
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June 2011 |
Time-dependent density functional theory within the Tamm–Dancoff approximation
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journal
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December 1999 |
Toward reliable density functional methods without adjustable parameters: The PBE0 model
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journal
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April 1999 |
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
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journal
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January 2005 |
Property-optimized Gaussian basis sets for molecular response calculations
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journal
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October 2010 |
Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange
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journal
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February 2009 |
Automatic Generation of Auxiliary Basis Sets
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journal
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January 2017 |
The density functional formalism, its applications and prospects
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journal
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July 1989 |
Analytical Self-Consistent Field Functions for the Atomic Configurations , , and
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journal
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April 1960 |
Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions
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journal
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January 1980 |
Spectroscopic Approach to Energetics of Exciton Fission and Fusion in Tetracene Crystals
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journal
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May 1971 |
Intramolecular vibrational excitations accompanying solvent‐controlled electron transfer reactions
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journal
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January 1988 |
A transferable model for singlet-fission kinetics
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journal
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May 2014 |
Deploying RMACC Summit: An HPC Resource for the Rocky Mountain Region
- Anderson, Jonathon; Burns, Patrick J.; Milroy, Daniel
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Proceedings of the Practice and Experience in Advanced Research Computing 2017 on Sustainability, Success and Impact - PEARC17
https://doi.org/10.1145/3093338.3093379
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conference
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January 2017 |