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Computational and Theoretical Chemistry, ISSN 2210-271X, 01/2015, Volume 1052, pp. 42 - 46
Group electronegativity as a measure of electron attracting strength of any functional group or molecule. In particular, in organic chemistry, the... 
A new group electronegativity equation | DFT | Electronegativity equalization | Group electronegativity | EQUALIZATION | CHARGES | CHEMISTRY, PHYSICAL | PRINCIPLE | ABSOLUTE ELECTRONEGATIVITY | MOLECULES | PAULING UNITS | CHEMISTRY | SCALES | HARDNESS
Journal Article
New Journal of Chemistry, ISSN 1144-0546, 01/2019, Volume 43, Issue 3, pp. 1130 - 1133
A simple model has been developed for predicting the regioselectivity of arynes using orbital electronegativity. Based on this model, the nucleophile attacks... 
Regioselectivity | Mathematical models | Electronegativity
Journal Article
AIP Conference Proceedings, ISSN 0094-243X, 10/2019, Volume 2162, Issue 1
In this paper, the behaviour of both positive and negative ions assembled on the surface of metallic conducting spherical probe/materialis investigated when it... 
Sheaths | Negative ions | Electronegativity
Journal Article
1990, ISBN 3718650525, Volume 15, pt. 4., 79
Book
Computational and Theoretical Chemistry, ISSN 2210-271X, 02/2015, Volume 1053, pp. 85 - 89
The topological analysis of functions endowed with chemical meaning has provided deep insights into the nature of the chemical bond for over thirty years.... 
Electronegativity | Topological electronegativity index | Hybridization | NLMO | QTAIM
Journal Article
Nanotechnology, ISSN 0957-4484, 05/2015, Volume 26, Issue 17, pp. 1 - 6
Journal Article
Journal of Applied Physics, ISSN 0021-8979, 08/2018, Volume 124, Issue 8
HgIn2Te4 (Mercury indium telluride, MIT) is a promising mid-infrared CO2 laser candidate material. Through combining the calculation results of structural... 
PHYSICS, APPLIED | HGTE-IN2TE3 ALLOYS | FUNCTIONALS | ELECTRONEGATIVITY
Journal Article
RSC Advances, ISSN 2046-2069, 05/2016, Volume 6, Issue 53, pp. 47443 - 47453
A series of ultra-low loss microwave dielectric materials Li 2 O-MgO-BO 2 (B = Ti, Sn, Zr) were prepared by the conventional solid-state method. The Li 2... 
MODES | BOND-VALENCE PARAMETERS | CHEMISTRY, MULTIDISCIPLINARY | ELECTRONEGATIVITY | CERAMICS
Journal Article
Nature Communications, ISSN 2041-1723, 06/2017, Volume 8, Issue 1, p. 15679
Although historically materials discovery has been driven by a laborious trial-and-error process, knowledge-driven materials design can now be enabled by the... 
AUGMENTED-WAVE METHOD | DESIGN | APPROXIMATION | DATABASE | SEMICONDUCTORS | MULTIDISCIPLINARY SCIENCES | AB-INITIO | ELECTRONEGATIVITY | COMPOUND | NETWORKS | BAND-GAP
Journal Article
RSC Advances, 01/2019, Volume 9, Issue 42, pp. 24134 - 24145
The conformational landscape of 22 different non, mono-, and disubstituted compounds with a five-membered ring was thoroughly explored by ab initio (MP2) and... 
Landscape | Electronegativity | Preferences
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 04/2016, Volume 55, Issue 7, pp. 3203 - 3205
We consider a system where structural polymorphism suggests the possible existence of superconductivity through the implied structural instability. SrPd2Bi2... 
ENERGY | ELECTRONEGATIVITY | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 10/2016, Volume 138, Issue 42, pp. 13822 - 13825
Thirty-six porphyrin-based metal–organic frameworks (MOFs) with composition of (M 3 O) 2 (TCPP-M) 3 and M3O trigonal SBUs of various metals, Mg3O, Mn3O, Co3O,... 
GAS-ADSORPTION | ELECTRONEGATIVITY | RESOLUTION | DIOXIDE | CO2 | SINGLET OXYGEN | FUNCTIONAL-GROUPS | GENERATION | CATALYST | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
Chemical Engineering Journal, ISSN 1385-8947, 02/2020, Volume 382, p. 122825
A microdroplet-based spray process was applied for the fast and facile synthesis of a range of bimetallic metal–organic frameworks (MOFs), including... 
Secondary Metal Sites | Metal Substitution | Electronegativity | Atomic Radius | Microdroplet
Journal Article
Journal of Applied Physics, ISSN 0021-8979, 09/2016, Volume 120, Issue 10
Graphene-semiconductor contacts exhibit rectifying properties and, in this respect, they behave in exactly the same way as a “conventional” metal-semiconductor... 
Molybdenum disulfide | Electric contacts | Graphene | Barriers | Electronegativity
Journal Article
Physics of Plasmas, ISSN 1070-664X, 02/2017, Volume 24, Issue 2, p. 23509
Metal grids made of nickel, copper, titanium, and iron are used for production of negative hydrogen ions through the irradiation of positive ions. It is easy... 
SURFACE | PHYSICS, FLUIDS & PLASMAS | ELECTRONEGATIVITY
Journal Article
Journal of Alloys and Compounds, ISSN 0925-8388, 03/2019, Volume 776, pp. 236 - 241
More reports about monoclinic-orthorhombic (m-o) phase transition of A M O are focusing on the influences of radius as well as electronegative of A . However,... 
Radius and electronegativity | Negative thermal expansion | Combined influences | Phase transition
Journal Article
International Journal of Applied Ceramic Technology, ISSN 1546-542X, 09/2019, Volume 16, Issue 5, pp. 2053 - 2059
Microwave dielectric properties of MgTi1−x(A1/3Sb2/3)xO3 (A = Mg2+, Zn2+, 0 ≤ x ≤ 0.125) ceramics were investigated as a function of the electronegativity... 
Rietveld refinement | bond length | microwave dielectric properties | MgTiO3 ceramics | electronegativity difference | ceramics | MgTiO | Substitutes | Magnesium titanates | Electronegativity | Ceramics | Dielectric properties | Ilmenite
Journal Article