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Title: Theoretical study of (XYO...H...OXY)+ (X, Y=H, F, C1) systems. From the asymmetrical to the symmetrical (O...H...O)+ hydrogen bonds
Authors: Chandra, Asit K
Zeegers-Huyskens, Therese
Keywords: B3Lyp/6-311++G(2d,p) calculations
Symmetry of (O...H...O)+ hydrogen bonds
Optimized geometries
Harmonic vibrational frequencies
Binding energies
Natural charges
Charge transfers
Issue Date: 30-Mar-2010
Appears in Collections:Asit K Chandra

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