(Q57250619)

How Do Different Fluorine Substitution Patterns Affect the Electronic State Energies of Phenylnitrene?

21 January 2018

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A laser flash photolysis study of di-, tri- and tetrafluorinated phenylnitrenes; implications for photoaffinity labeling

21 January 2018

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Exploratory photochemistry of fluorinated aryl azides. Implications for the design of photoaffinity labeling reagents

21 January 2018

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A laser flash photolysis and quantum chemical study of the fluorinated derivatives of singlet phenylnitrene.

21 January 2018

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Some Relations between Reaction Rates and Equilibrium Constants.

21 January 2018

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Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

21 January 2018

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The construction and interpretation of MCSCF wavefunctions

21 January 2018

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General atomic and molecular electronic structure system

21 January 2018

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Density-functional exchange-energy approximation with correct asymptotic behavior

21 January 2018

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Accurate and simple analytic representation of the electron-gas correlation energy

21 January 2018

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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

21 January 2018

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Inhomogeneous Electron Gas

21 January 2018

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Quantum Chemical Analysis ofpara-Substitution Effects on the Electronic Structure of Phenylnitrenium Ions in the Gas Phase and Aqueous Solution

21 January 2018

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Density functional theory: excited states and spin annihilation

21 January 2018

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A Correlation of Reaction Rates

21 January 2018

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Systematic comparison of the benzynes, pyridynes, and pyridynium cations and characterization of the Bergman cyclization of Z-but-1-en-3-yn-1-yl isonitrile to the meta diradical 2,4-pyridyne

21 January 2018

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Influence of hydroxyl substitution on benzyne properties. quantum chemical characterization of the didehydrophenols

21 January 2018

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Rearrangements of C(7)H(6) Isomers: Computational Studies of the Interconversions of Bicyclo[3.2.0]hepta-1,3,6-triene, Bicyclo[3.2.0]hepta-3,6-diene-2-ylidene, Bicyclo[3.2.0]hepta-2,3,6-triene, and Cyclohepta-1,2,4,6-tetraene

21 January 2018

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Computational prediction of a ground-state triplet arylnitrenium ion and a possible ground-state triplet silylene

21 January 2018

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Chemistry of Bifunctional Photoprobes. 1. Perfluoroaryl Azido Functionalized Phosphorus Hydrazides as Novel Photoreactive Heterobifunctional Chelating Agents: High Efficiency Nitrene Insertion on Model Solvents and Proteins

21 January 2018

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Time-dependent density-functional determination of arbitrary singlet and triplet excited-state potential energy surfaces: Application to the water molecule

21 January 2018

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Heteroatomic substitution in aromatic σ biradicals: the six pyridynes

21 January 2018

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Computational study of the electronic structure of substituted phenylcarbene in the gas phase

21 January 2018

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Interconversions of Phenylcarbene, Cycloheptatetraene, Fulvenallene, and Benzocyclopropene. A Theoretical Study of the C(7)H(6) Energy Surface

21 January 2018

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Carbene Rearrangements Unsurpassed: Details of the C(7)H(6) Potential Energy Surface Revealed

21 January 2018

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