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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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Article
Open AccessModulation of electronic properties from stacking orders and spin-orbit coupling for 3R-type MoS2
Two-dimensional crystals stacked by van der Waals coupling, such as twisted graphene and coupled graphene-BN layers with unusual phenomena have been a focus of research recently. As a typical representative, w...
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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 ...
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Article
Open AccessProbing Hydrophilic Interface of Solid/Liquid-Water by Nanoultrasonics
Despite the numerous devoted studies, water at solid interfaces remains puzzling. An ongoing debate concerns the nature of interfacial water at a hydrophilic surface, whether it is more solid-like, ice-like, o...
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Article
Molecular adsorption induces the transformation of rhombohedral- to Bernal-stacking order in trilayer graphene
The Bernal (ABA)-stacked graphene trilayer is presumed to be thermodynamically more stable than the rhombohedral (ABC) counterpart. However, the thermal transformation from ABC to ABA domains does not occur at...
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Chapter
Feature Selection Using Single/Multi-Objective Memetic Frameworks
Memetic frameworks for the hybridization of wrapper and filter feature selection methods have been proposed for classification problems. The frameworks incorporate filter methods in the traditional evolutionar...
