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1484 J. Chem. Theory Comput. 2007, 3, [removed]Solvatochromic Shifts of the n f π* Transition of Acetone from Steam Vapor to Ambient Aqueous
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Document Date: 2012-08-16 12:29:04


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alternative technologies / subsequent energy change / energy input / energy evaluations / polarization correlation energy / energy gap / energy change / energy decompositions / excitation energy / ground-state energy / ground-state electrostatic energy term / intrinsic excitation energy / aqueous solution / energy difference / energy / energy decomposition scheme / intrinsic energy contributions / Electrostatic stabilization energy / energy component / chemical reactivity / energy contribution / solute-solvent interaction energy / computed excitation energy / net solute-solvent interaction energy / excited-state energy relaxation / similar energy expression / absorption energy / gas-phase value / solute intrinsic energy contributing / energy decomposition show / energy partition / energy component analyses / absorption energy increases / chemical oxidations / azo functional groups / chemical warfare agents / gas phase / energy terms / /

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office of Naval Research / SUNY / Jiali Gao* Department of Chemistry / Department of Chemistry / North Atlantic Treaty Organization / Chemistry and Supercomputing Institute / UniVersity of Minnesota / /

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