Assessment of a long-range corrected hybrid functional
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December 2006 |
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 |
Absolute integrated infrared intensities of the carbonyl, thiocarbonyl, and selenocarbonyl stretching modes in the chalcocarbonyl complexes Cr(CO)5(CX) and (.eta.6-C6H6)Cr(CO)2(CX) (X = O, S, Se)
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December 1984 |
Probing and Exploiting the Interplay between Nuclear and Electronic Motion in Charge Transfer Processes
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March 2015 |
Nitrile Vibration Reports Induced Electric Field and Delocalization of Electron in the Charge-Transfer State of Aryl Nitriles
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August 2018 |
Chain Length Dependence of Energies of Electron and Triplet Polarons in Oligofluorenes
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March 2017 |
The LEAF picosecond pulse radiolysis facility at Brookhaven National Laboratory
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November 2004 |
Measuring Electric Fields and Noncovalent Interactions Using the Vibrational Stark Effect
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March 2015 |
Delocalisation softens polaron electronic transitions and vibrational modes in conjugated polymers
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January 2018 |
Vibrational Probes: From Small Molecule Solvatochromism Theory and Experiments to Applications in Complex Systems
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February 2017 |
The CN Stretching Band of Aliphatic Thiocyanate is Sensitive to Solvent Dynamics and Specific Solvation
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October 2007 |
Vibrational Excitations of Charged Solitons in Polyacetylene
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September 1980 |
Role of solvent on vibrational energy transfer in solution
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October 1990 |
Exploiting chemistry and molecular systems for quantum information science
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July 2020 |
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 |
First-Principles Study of the Nuclear Dynamics of Doped Conjugated Polymers
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January 2016 |
Structural Effects on Nitrile Infrared Integrated Intensities of Alpha,Beta-Diaryl Cyanoethylenes: Hammett and Quantum Chemical Approaches
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May 1978 |
On the mechanism of vibrational control of light-induced charge transfer in donor–bridge–acceptor assemblies
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August 2015 |
Tunable Redox Potential, Optical Properties, and Enhanced Stability of Modified Ferrocene-Based Complexes
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September 2019 |
Charge Photogeneration in Organic Solar Cells
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November 2010 |
Relation between the electronic structure and infrared frequencies of the cyano-group in alkali-metal complexes of some substituted benzonitriles
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February 1971 |
Identification of Ion-Pair Structures in Solution by Vibrational Stark Effects
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February 2016 |
OLEX2 : a complete structure solution, refinement and analysis program
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January 2009 |
Ultrafast photoinduced charge generation in conjugated polymers
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January 2000 |
Role of Bad Dihedral Angles: Methylfluorenes Act as Energy Barriers for Excitons and Polarons of Oligofluorenes
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September 2014 |
Stark Realities †
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March 2009 |
Toward control of electron transfer in donor-acceptor molecules by bond-specific infrared excitation
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December 2014 |
Infrared-active vibrational modes of charged solitons in and
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May 1981 |
A New Approach to the Spectral Study of Unstable Radicals and Ions in Solution by the Use of an Inert Gas Glovebox System: Observation and Analysis of the Infrared Spectra of the Radical Anion and Dianion of p -Terphenyl
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February 2008 |
Modulating Unimolecular Charge Transfer by Exciting Bridge Vibrations
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December 2009 |
SHELXT – Integrated space-group and crystal-structure determination
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January 2015 |
Microscopic insights into the protein-stabilizing effect of trimethylamine N-oxide (TMAO)
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May 2014 |
Vibrational Stark Effects To Identify Ion Pairing and Determine Reduction Potentials in Electrolyte-Free Environments
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January 2015 |
Electron Localization of Anions Probed by Nitrile Vibrations
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August 2015 |
Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction
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June 2020 |
Using Nitrile-Derivatized Amino Acids as Infrared Probes of Local Environment
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January 2003 |
Infrared Probes Based on Nitrile-Derivatized Prolines: Thermal Insulation Effect and Enhanced Dynamic Range
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June 2013 |
Molecular packing and morphological stability of dihydro-indeno[1,2-b]fluorenes in the context of their substitution pattern
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January 2017 |
Solvent-Induced Infrared Frequency Shifts in Aromatic Nitriles Are Quantitatively Described by the Vibrational Stark Effect
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April 2012 |
Stark Tuning Rates of Organic Carbonates Used in Electrochemical Energy Storage Devices
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April 2019 |
Infrared Activity of Symmetric Bridging Ligand Modes in Pyrazine-Bridged Hexaruthenium Mixed-Valence Clusters
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February 2003 |
Infrared spectra and structures of carbanions—XI
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January 1977 |
Structure validation in chemical crystallography
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January 2009 |
Intensity of the carbonyl stretching modes in certain halogenocarbonyl derivatives of chromium, tungsten, manganese, rhenium and iron
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January 1967 |
Theory of Vibrational Circular Dichroism and Infrared Absorption: Extension to Molecules with Low-Lying Excited Electronic States
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September 2004 |
Organic Linear Conductors as Systems for the Study of Electron-Phonon Interactions in the Organic Solid State
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July 1976 |
The Degree of Charge Transfer in Ground and Charge-Separated States Revealed by Ultrafast Visible Pump/Mid-IR Probe Spectroscopy
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April 2004 |
Giant infrared absorption bands of electrons and holes in conjugated molecules
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November 2013 |
Looking at Photoinduced Charge Transfer Processes in the IR: Answers to Several Long-Standing Questions
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January 2017 |
Synthesis of Methylene-Bridge Polyarenes through Palladium-Catalyzed Activation of Benzylic Carbon-Hydrogen Bond
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December 2010 |
Tests of functionals for systems with fractional electron number
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April 2007 |
Conjugation and the Intensity of the Infrared Carbonyl Band
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November 1953 |
Electron-Transfer Acceleration Investigated by Time Resolved Infrared Spectroscopy
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February 2015 |
Probing Intermolecular Electron Delocalization in Dimer Radical Anions by Vibrational Spectroscopy
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July 2017 |
Infrared signatures of positive and negative charge carriers in conjugated polymers with low band gaps
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February 2004 |
Crystal structure refinement with SHELXL
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January 2015 |
Electron Affinities of Aromatic Hydrocarbons in Tetrahydrofuran Solution
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February 1965 |
Intramolecular vibrational stabilization of the charge density wave state in organic metals
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November 1975 |
Reexamination of the Rehm–Weller Data Set Reveals Electron Transfer Quenching That Follows a Sandros–Boltzmann Dependence on Free Energy
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August 2011 |
Quantum Theory of the Intensities of Molecular Vibrational Spectra
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February 1970 |
Synthesis of Ladder Polymers: Developments, Challenges, and Opportunities
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September 2017 |
Extreme electric fields power catalysis in the active site of ketosteroid isomerase
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December 2014 |
Determination of constants of anionic substituents based on nitrile infrared frequencies and intensities
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January 1982 |
Synthesis of Fluorene and Indenofluorene Compounds: Tandem Palladium-Catalyzed Suzuki Cross-Coupling and Cyclization
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March 2010 |
CN stretching vibration of 5-cyanotryptophan as an infrared probe of protein local environment: what determines its frequency?
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January 2016 |
Application of transient infrared and near infrared spectroscopy to transition metal complex excited states and intermediates
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February 2007 |
Development of nanosecond time-resolved infrared detection at the LEAF pulse radiolysis facility
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April 2015 |
Polarons, Bipolarons, and Side-By-Side Polarons in Reduction of Oligofluorenes
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June 2012 |
Vibrational Spectroscopy Reveals Effects of Electron Push–Pull and Solvent Polarity on Electron Delocalization in Radical Anions of Donor–Acceptor Compounds
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February 2020 |
Importance of short-range versus long-range Hartree-Fock exchange for the performance of hybrid density functionals
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August 2006 |
Infrared spectral data on strong intramolecular electron interaction in some anion radicals containing CN groups
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December 1971 |