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Hydrogen Insertion Effects on the Electronic Structure of Equiatomic MgNi Traced by ab initio Calculations
-
Samir F. Matar
,
Adel F. Al Alam
Veröffentlicht/Copyright:
2. Juni 2014
Received: 2012-10-18
Published Online: 2014-06-02
Published in Print: 2013-01-01
© 1946 – 2014: Verlag der Zeitschrift für Naturforschung
Artikel in diesem Heft
- [BMIm][Fe(OTf)3], [BMIm][Mn(OTf)3], [BMIm][Li(OTf)2] – Three One-dimensional Infinite Coordination Polymers
- The Stannides RE2Ni2Sn (RE = Pr, Ho, Er, Tm) – Structural Transition from the W2B2Co to the Mo2B2Fe Type as a Function of the Rare Earth Size
- SrCo2Sn8 and BaCo2Sn8: Tin-rich Stannides with Distorted SnSn6 Octahedra within Three-dimensional [Co2Sn8] Networks
- Electronic Structure and Bonding in YTi2Ga4 – A Gallide with Linear Titanium Chains and Four-bonded Gallium Atoms
- High-pressure Syntheses and Characterization of the Rare Earth Borates RE5(BO3)2F9 (RE=Dy, Ho)
- Synthesis, Raman Spectrum and Single-Crystal Structure of CaBa8[CN2]6O2(N0.5H0.5)
- Hydrogen Insertion Effects on the Electronic Structure of Equiatomic MgNi Traced by ab initio Calculations
- Study of the Synthesis of Some Biginelli-type Products Catalyzed by Nano-ZrO2
- Synthesis of Stable Acyclic Aminals Derived from L-(+)-Aspartic Acid and Their Application in Asymmetric Henry Reactions
- Electronic and Molecular Structures of Heteroradialenes: A Combined Synthetic, Computational, Spectroscopic, and Structural Study Identifying IR Spectroscopy as a Simple but Powerful Experimental Probe
- Formation and Structure of [(CO)4Mo(Et4Sb2)]2
- Synthesis and Structural Characterization of a Gallium(III) Bis(selenoureato) Complex
- Ca2Pd2Cd with W2B2Co-type Structure
- Formation and Fragmentation of 4-Diazo-1,2-diphenyl-3-oxo-butyl Acetate
Schlagwörter für diesen Artikel
Hydrogen;
Equiatomic MgNi;
Iono-covalent Character;
Bader Charge;
Chemical Bonding
Artikel in diesem Heft
- [BMIm][Fe(OTf)3], [BMIm][Mn(OTf)3], [BMIm][Li(OTf)2] – Three One-dimensional Infinite Coordination Polymers
- The Stannides RE2Ni2Sn (RE = Pr, Ho, Er, Tm) – Structural Transition from the W2B2Co to the Mo2B2Fe Type as a Function of the Rare Earth Size
- SrCo2Sn8 and BaCo2Sn8: Tin-rich Stannides with Distorted SnSn6 Octahedra within Three-dimensional [Co2Sn8] Networks
- Electronic Structure and Bonding in YTi2Ga4 – A Gallide with Linear Titanium Chains and Four-bonded Gallium Atoms
- High-pressure Syntheses and Characterization of the Rare Earth Borates RE5(BO3)2F9 (RE=Dy, Ho)
- Synthesis, Raman Spectrum and Single-Crystal Structure of CaBa8[CN2]6O2(N0.5H0.5)
- Hydrogen Insertion Effects on the Electronic Structure of Equiatomic MgNi Traced by ab initio Calculations
- Study of the Synthesis of Some Biginelli-type Products Catalyzed by Nano-ZrO2
- Synthesis of Stable Acyclic Aminals Derived from L-(+)-Aspartic Acid and Their Application in Asymmetric Henry Reactions
- Electronic and Molecular Structures of Heteroradialenes: A Combined Synthetic, Computational, Spectroscopic, and Structural Study Identifying IR Spectroscopy as a Simple but Powerful Experimental Probe
- Formation and Structure of [(CO)4Mo(Et4Sb2)]2
- Synthesis and Structural Characterization of a Gallium(III) Bis(selenoureato) Complex
- Ca2Pd2Cd with W2B2Co-type Structure
- Formation and Fragmentation of 4-Diazo-1,2-diphenyl-3-oxo-butyl Acetate
