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Chapter and Conference Paper
Why is the “Donor-Acceptor” Stretching a sine qua non in Understanding the Vibrational Signatures of Ionic Hydrogen Bonds?
Vibrational coupling between O–O stretch and ionic hydrogen bond (IHB) stretch were carefully examined for the following proton-bound Zundel dimers: H5O2 +, (MeOH)2H+, and (Me2O)2H+. Two-dimensional vibra...
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Chapter and Conference Paper
Proton Quantum Confinement on Symmetric Dimers of Ammonia and Lower Amine Homologs
Behavior of shared proton in symmetric dimers of ammonia and lower amine homologs were studied by several theoretical methods. Corresponding optimized structures by density functional theory show an intuitive ...