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Axial Strain Tuning of the Electronic and Structural Properties of a (6,0) Silicon Carbide Nanotube Containing an Ionic Si-C Bond: A Quantum Chemical Approach
Online Contents | 2020|Keywords: electronic and structural properties -
Adsorption of CO and NO molecules onto pentagonal clusters of aluminum: a DFT study
Online Contents | 2017|Keywords: Electronic and structural properties -
First principles study of structural, electronic, elastic and optical properties of MgS, MgSe and MgTe
Elsevier | 2003|Keywords: Electronic and structural properties -
Ab initio studies of Th3N4, Th2N3 and Th2N2(NH)
Elsevier | 2014|Keywords: D. Electronic and structural properties -
Investigation of the influence of Br- and As-doped silica single-wall nanotubes: Hartree–Fock method
Online Contents | 2018|Keywords: electronic and structural properties -
Ab Initio Prediction of Piezoelectricity in Two-Dimensional Materials
American Chemical Society | 2015|Keywords: electronic and structural properties -
Cr-doped porous silica glass as a model material to describe Phillips catalyst properties
Free accessBASE | 2013|Keywords: Electronic and structural properties -
Electronic and physicochemical properties of selected nitrofurans: A theoretical study
Wiley | 2005|Keywords: electronic and structural properties -
Computational study of AgCl and AgBr semiconductors
Elsevier | 2006|Keywords: Electronic and structural properties -
Structural and electronic properties of III–V scandium compounds
Elsevier | 2006|Keywords: Electronic and structural properties
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