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chemical bonding

National Institutes of Health

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Cross linkHydrogen BondingIonic Bondingadduct

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chemical properties

Papers overview

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2016
2016
Direct Chemical Fine-Tuning of Electronic Properties in Sc2 Ir6-x Pdx B.
Crystal orbital Hamilton population (COHP) bonding analysis has predicted that ScPd3 B0.5 is the least stable compound of the… 
2016
2016
Interpenetration of a 3D Icosahedral M@Ni12 (M: Al, Ga) Framework with Porphyrin‐Reminiscent Boron Layers in MNi9B8.
The new borides AlNi9B8 (I) and GaNi9B8 (II) are prepared by arc melting of the elements with a 5% excess of Ga for loss… 
2016
2016
Antiferromagnetic Stabilization in the Ti 8 O 12 Cluster
Using the evolutionary algorithm USPEX and DFT+ U calculations, we predicted a high-symmetry geometric structure of the bare… 
2015
2015
Surface modification of sulfur electrodes by chemically anchored cross-linked polymer coating for lithium-sulfur batteries.
Lithium-sulfur batteries suffer from severe self-discharge due to polysulfide dissolution into electrolytes. In this work, a… 
2015
2015
Assessing the viability of extended nonmetal atom chains in M(n)F(4n+2) (M=S and Se).
Theoretical investigations to evaluate the viability of extended nonmetal atom chains on the basis of molecular models with the… 
2015
2015
Exploring the chemical bonding, infrared and UV-vis absorption spectra of OH radicals adsorption on the smallest fullerene.
2015
2015
Macromol. Rapid Commun. 19/2015.
Front Cover: Thermo-responsive photonic polymers with hierarchical structure are synthesized by grafting poly (N… 
2014
2014
Investigation of chemical-bonding state and fixed charge state of Sr 2 SiO 4 film on Si(100) substrate
We investigated chemical bonding (CB) states and fixed charge (FC) states for various thicknesses of Sr2SiO4 films which were… 
2013
2013
Theoretical studies on the electronic structures and photoelectron spectra of tri-rhenium oxide clusters : Re 3
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