A review: A new insight for electronic polarizability and chemical bond strength in Bi2O3-based glasses

2020 ◽  
Vol 550 ◽  
pp. 120365
Author(s):  
Takayuki Komatsu ◽  
Vesselin Dimitrov ◽  
Tina Tasheva ◽  
Tsuyoshi Honma
Keyword(s):  
Bond Strength ◽  
Chemical Bond ◽  
Electronic Polarizability

scholarly journals A quantum chemical study of substituent effects on CN bonds in aryl isocyanide molecules adsorbed on the Pt surface

2020 ◽  
Vol 22 (21) ◽  
pp. 12200-12208
Author(s):  
Ben Wang ◽  
Min Gao ◽  
Kohei Uosaki ◽  
Tetsuya Taketsugu
Keyword(s):  
Bond Strength ◽  
Chemical Bond ◽  
Normal Mode ◽  
Quantum Chemical ◽  
Normal Mode Analysis ◽  
Quantum Chemical Study ◽  
Substituent Effects ◽  
Chemical Study ◽  
Mode Analysis

A periodicity implemented scheme of NBO theory and normal mode analysis has been employed to investigate the chemical bond strength tendency for aryl isocyanide molecules with different para-substituted groups adsorbed on the Pt(111) surface.

scholarly journals The Chemical Bond: When Atom Size instead of Electronegativity Difference Determines Trend in Bond Strength

2021 ◽  
Author(s):  
Eva Blokker ◽  
Xiaobo Sun ◽  
Jordi Poater ◽  
J. Martijn Schuur ◽  
Trevor A. Hamlin ◽  
...  
Keyword(s):  
Bond Strength ◽  
Chemical Bond ◽  
Electronegativity Difference

scholarly journals Heat Capacity and Chemical Bond Strength of Oxide Glasses

1989 ◽  
Vol 97 (1123) ◽  
pp. 359-364 ◽  
Author(s):  
Kazuyuki HIRAO ◽  
Naohiro SOGA
Keyword(s):  
Heat Capacity ◽  
Bond Strength ◽  
Chemical Bond ◽  
Oxide Glasses

Approach to thermal properties and electronic polarizability from average single bond strength in ZnOBi2O3B2O3 glasses

2010 ◽  
Vol 183 (12) ◽  
pp. 3078-3085 ◽  
Author(s):  
Taisuke Inoue ◽  
Tsuyoshi Honma ◽  
Vesselin Dimitrov ◽  
Takayuki Komatsu
Keyword(s):  
Thermal Properties ◽  
Bond Strength ◽  
Electronic Polarizability ◽  
Single Bond

scholarly journals The Chemical Bond: When Atom Size Instead of Electronegativity Difference Determines Trend in Bond Strength

2021 ◽  
Author(s):  
Eva Blokker ◽  
Xiaobo Sun ◽  
Jordi Poater ◽  
J. Martijn van der Schuur ◽  
Trevor A. Hamlin ◽  
...  
Keyword(s):  
Bond Strength ◽  
Chemical Bond ◽  
Electronegativity Difference

Predicting bond strength from a single Hartree–Fock ground state using the localized pair model

2014 ◽  
Vol 16 (46) ◽  
pp. 25548-25556 ◽  
Author(s):  
Dylan C. Hennessey ◽  
Brendan J. H. Sheppard ◽  
Dalton E. C. K. Mackenzie ◽  
Jason K. Pearson
Keyword(s):  
Bond Strength ◽  
Chemical Bond ◽  
Ground State ◽  
Electron Pair ◽  
Chemical Bonds ◽  
Hartree Fock ◽  
Pair Model

We present electron pair distributions within chemical bonds and show that these characterize and quantify chemical bond strength.

Chemical bond strength in poly-ethers

1972 ◽  
Vol 14 (10) ◽  
pp. 2592-2600 ◽  
Author(s):  
A.B. Blyumenfel'd ◽  
R.S. Goglev ◽  
B.M. Kovarskaya ◽  
M.B. Neiman
Keyword(s):  
Bond Strength ◽  
Chemical Bond

Electronic Structure and Thermoelectric Property of Misfit Layered Cobaltite and Doped Series

2012 ◽  
Vol 512-515 ◽  
pp. 1611-1614
Author(s):  
Xin Min Min ◽  
Guo Yi Wang
Keyword(s):  
Electronic Structure ◽  
Bond Strength ◽  
Chemical Bond ◽  
Thermoelectric Property ◽  
Variation Method ◽  
Direct Relation ◽  
Discrete Variation ◽  
Binary Oxides ◽  
Transitional Metal ◽  
Layered Cobaltite

The relations between electronic structure, chemical bond and thermoelectric property of misfit layered cobaltite of Ca3Co4O9and 3d transitional metal (Ti, Cr, Mn, Fe and Cu) doped series are studied using density function and discrete variation method (DFT-DVM). Ca3Co4O9consists of two layers of CoO2and Ca2CoO3. The highest valence band (HVB) and the lowest conduction band (LCB) near Fermi level are only mainly from O 2p and Co 3d in Ca2CoO3layer. Therefore, the semiconductor, or thermoelectric property of Ca3Co4O9should be mainly from Ca2CoO3layer, but it seems to have no direct relation to the CoO2layer, which is consistent with that binary oxides hardly have thermoelectric property, but trinary oxide compounds have quite good thermoelectric property. The variation of electronic structure, chemical bond strength and thermoelectric property of doping series is discussed. The improvement of thermoelectric property of Cu-doped Ca3Co4O9is the most obvious.

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