Charge Photogeneration in Organic Solar Cells
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November 2010 |
Formation of Dimer Cations of Aromatic Hydrocarbons
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July 1968 |
Radical cations in condensed phases
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January 1984 |
Conformations of naphthalene dimer cation radicals studies by laser photolysis
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February 1989 |
Photodissociation Spectrum of Naphthalene Dimer Cation
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March 1995 |
Intermolecular π-to-π Bonding between Stacked Aromatic Dyads. Experimental and Theoretical Binding Energies and Near-IR Optical Transitions for Phenalenyl Radical/Radical versus Radical/Cation Dimerizations
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October 2004 |
Photophysical and theoretical investigations of the [8]cycloparaphenylene radical cation and its charge-resonance dimer
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January 2013 |
What Is the Structure of the Naphthalene–Benzene Heterodimer Radical Cation? Binding Energy, Charge Delocalization, and Unexpected Charge-Transfer Interaction in Stacked Dimer and Trimer Radical Cations
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March 2015 |
Formation of Dimer Radical Anions of Aromatic Acetylenes during Pulse Radiolysis and γ-Radiolysis
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February 1997 |
Observation of intramolecular dimer radical anion of 1,1-diarylmethanols bearing electron withdrawing groups at room temperature
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November 2000 |
Dimerization Reaction of Regioisomeric Bis(phenylethynyl)benzene Radical Anions during Pulse Radiolysis
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July 2012 |
Reactions of radical anions. Part IV. The dimerisation of the tolan radical anion
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January 1967 |
Electronic absorption and E.S.R. spectra of the benzene and paracyclophane anions
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January 1967 |
Absorption Spectra of Dianthracene Anion Radical and Anthracene Dimer Anion
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March 1972 |
Low-temperature pulse radiolysis and .gamma.-irradiated matrix studies of dimer anions of olefin derivatives
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January 1977 |
Absorption spectra of acrylonitrile monomer and dimer anions as studied by a rigid-matrix method
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January 1980 |
Isolation of the Latent Precursor Complex in Electron-Transfer Dynamics. Intermolecular Association and Self-Exchange with Acceptor Anion Radicals
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March 2003 |
Intramolecular dimer radical anions of [3n] cyclophanes: transannular distance dependent stabilization energy
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January 2009 |
Intramolecular Charge Resonance in Dimer Radical Anions of Di-, Tri-, Tetra-, and Pentaphenylalkanes
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May 2012 |
Measuring Electric Fields and Noncovalent Interactions Using the Vibrational Stark Effect
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March 2015 |
Electron-Transfer Acceleration Investigated by Time Resolved Infrared Spectroscopy
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February 2015 |
Looking at Photoinduced Charge Transfer Processes in the IR: Answers to Several Long-Standing Questions
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January 2017 |
Application of External-Cavity Quantum Cascade Infrared Lasers to Nanosecond Time-Resolved Infrared Spectroscopy of Condensed-Phase Samples following Pulse Radiolysis
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June 2010 |
Development of nanosecond time-resolved infrared detection at the LEAF pulse radiolysis facility
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April 2015 |
Electron Localization of Anions Probed by Nitrile Vibrations
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August 2015 |
The LEAF picosecond pulse radiolysis facility at Brookhaven National Laboratory
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November 2004 |
Nature and Energies of Electrons and Holes in a Conjugated Polymer, Polyfluorene
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December 2006 |
Polarons, Bipolarons, and Side-By-Side Polarons in Reduction of Oligofluorenes
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June 2012 |
Density‐functional thermochemistry. III. The role of exact exchange
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April 1993 |
Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
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November 1994 |
Importance of short-range versus long-range Hartree-Fock exchange for the performance of hybrid density functionals
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August 2006 |
Assessment of a long-range corrected hybrid functional
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December 2006 |
Tests of functionals for systems with fractional electron number
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April 2007 |
Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections
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January 2008 |
Effect of the damping function in dispersion corrected density functional theory
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March 2011 |
Quantum Mechanical Continuum Solvation Models
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August 2005 |
A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution
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August 2006 |
Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach
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August 2007 |
Catalytic Oligomerization of Ethylene to Higher Linear α-Olefins Promoted by the Cationic Group 4 [(η 5 -Cp-(CMe 2 -bridge)-Ph)M II (ethylene) 2 ] + (M = Ti, Zr, Hf) Active Catalysts: A Density Functional Investigation of the Influence of the Metal on the Catalytic Activity and Selectivity
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July 2004 |
Dimer cations of polycyclic aromatics. Experimental bonding energies and resonance stabilization
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October 1980 |
Mass-Selected Ion Mobility Studies of the Isomerization of the Benzene Radical Cation and Binding Energy of the Benzene Dimer Cation. Separation of Isomeric Ions by Dimer Formation
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September 2003 |
Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis
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April 1990 |
Solvent-Induced Nitrile Frequency Shifts: Acetonitrile and Benzonitrile
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September 1990 |
Vibrational Stark Effects of Nitriles I. Methods and Experimental Results
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December 2000 |
Charge Transfer Fluorescence and 34 nm Exciton Diffusion Length in Polymers with Electron Acceptor End Traps
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December 2014 |
Identification of Ion-Pair Structures in Solution by Vibrational Stark Effects
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February 2016 |
Vibrational Stark Effects To Identify Ion Pairing and Determine Reduction Potentials in Electrolyte-Free Environments
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January 2015 |
Four-Center Carbon−Carbon Bonding †
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March 2007 |
Crystal structures of 4-cyano-4-hexylbiphenyl (6CB) and 4-cyano-4-heptylbiphenyl (7CB) in relation to odd-even effects
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June 1999 |
Structure, Energetics, and Electronic Coupling in the (TCNE 2 ) - • Encounter Complex in Solution: A Polarizable Continuum Study
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October 2007 |
Electronic structure of the benzene dimer cation
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July 2007 |
Electronic Structure and Optical Properties of Charged Oligofluorenes Studied by VIS/NIR Spectroscopy and Time-Dependent Density Functional Theory
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March 2006 |
Role of Bad Dihedral Angles: Methylfluorenes Act as Energy Barriers for Excitons and Polarons of Oligofluorenes
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September 2014 |
Using Nitrile-Derivatized Amino Acids as Infrared Probes of Local Environment
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January 2003 |
Solvent-Induced Infrared Frequency Shifts in Aromatic Nitriles Are Quantitatively Described by the Vibrational Stark Effect
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April 2012 |
The CN Stretching Band of Aliphatic Thiocyanate is Sensitive to Solvent Dynamics and Specific Solvation
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October 2007 |
Role of solvent on vibrational energy transfer in solution
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October 1990 |
Infrared Probes Based on Nitrile-Derivatized Prolines: Thermal Insulation Effect and Enhanced Dynamic Range
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June 2013 |
Density functional theory with London dispersion corrections: Density functional theory with London dispersion corrections
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March 2011 |
Exploring the Limits of Density Functional Approximations for Interaction Energies of Molecular Precursors to Organic Electronics
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October 2012 |
Why are the Interaction Energies of Charge-Transfer Complexes Challenging for DFT?
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April 2012 |
Minimizing Density Functional Failures for Non-Covalent Interactions Beyond van der Waals Complexes
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March 2014 |
Evidence for Multicenter Bonding in Dianionic Tetracyanoethylene Dimers by Raman Spectroscopy
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April 2013 |
Calculation of the intermolecular energy of large molecules by a fragmentation scheme: Application to the 4- n -pentyl-4 ′ - cyanobiphenyl (5CB) dimer
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August 2002 |
Transferability of Coarse-Grained Force Field for n CB Liquid Crystal Systems
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April 2014 |