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Physica B. Condensed Matter, ISSN 0921-4526, 05/2018, Volume 536, p. 576
Journal Article
Journal of Applied Physics, ISSN 0021-8979, 05/2014, Volume 115, Issue 17, p. 17
Journal Article
Journal of Applied Physics, ISSN 0021-8979, 05/2014, Volume 115, Issue 17
A theoretical ab-initio investigation of exchange interaction between Cu atoms in an insulating antiferromagnet Cu(H{sub 2}O){sub 2}(en)SO{sub 4}, en = C{sub... 
EXCHANGE INTERACTIONS | APPROXIMATIONS | ANTIFERROMAGNETISM | CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY | MAGNETIC MOMENTS | ANTIFERROMAGNETIC MATERIALS | HYDRATES | COPPER SULFATES | SPECIFIC HEAT | CRYSTALS | MAGNETIC SUSCEPTIBILITY | ORGANIC NITROGEN COMPOUNDS | HEISENBERG MODEL
Journal Article
Journal of Applied Physics, ISSN 0021-8979, 05/2014, Volume 115, Issue 17, p. 17
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 11/2015, Volume 112, Issue 46, pp. 14206 - 14211
Journal Article
Journal of Materials Chemistry. A, Materials for Energy and Sustainability, ISSN 2050-7488, 01/2018, Volume 6, Issue 10, pp. 4271 - 4278
Electrocatalysis has the potential to become a more sustainable approach to generate hydrogen as a clean energy source and chemical feedstock. Finding a... 
Gibbs free energy | Hydrogen-based energy | Catalysts | Hydrogen | Metals | Hydrogen evolution | Surface chemistry | Free energy | Optimization | Thermodynamics | Electronic structure | Adsorption | Computer applications | Reaction kinetics | Kinetics | Catalysis | Hydrogen production | Clean energy | Hydrogen ion concentration
Journal Article
Journal of physics. Condensed matter : an Institute of Physics journal, ISSN 0953-8984, 01/2020
CePd$_2$Al$_2$ crystallizes in the CaBe$_2$Ge$_2$-type tetragonal structure ($P4/nmm$, 129) and undergoes a phase transition to the orthorhombic $Cmme$... 
Journal Article
Journal of Nuclear Materials, ISSN 0022-3115, 07/2012, Volume 426, Issue 1-3, pp. 109 - 114
We report first-principles calculations of the phonon dispersion spectrum, thermal expansion, and heat capacity of uranium dioxide. The so-called direct... 
Physics - Materials Science
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 12/2017, Volume 114, Issue 52, pp. E11082 - E11091
Journal Article
Journal of Nanoscience and Nanotechnology, ISSN 1533-4880, 05/2019, Volume 19, Issue 5, p. 3016
The density functional theory was used to calculate elastic tensor for the quasi-one-dimensional antiferromagnetic compound Cu(en)(H2O)2SO4, with en = C2H8N2.... 
Elastic anisotropy | Antiferromagnetism | Single crystals | Specific heat | Tensors | Mathematical analysis | Mechanical properties | Density functional theory | Magnetism | Poissons ratio | Elastic properties | Copper
Journal Article
Journal of Physics, Condensed Matter, ISSN 0953-8984, 03/2013, Volume 25, Issue 11, pp. 1 - 7
We report theoretical investigations of the lattice dynamics of KCuF sub(3). Our calculations are based on the generalized gradient approximation and... 
Stability | Approximation | Condensed matter | Dynamics | Mathematical analysis | Lattices | Phonons | Dynamical systems
Journal Article
Journal of Physics: Condensed Matter, ISSN 0953-8984, 03/2013, Volume 25, Issue 11, p. 115404
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 12/2018, Volume 2, Issue 47, pp. 29684 - 29692
Two-dimensional (2D) transition metal carbides (MXenes) exhibit excellent thermodynamic stability and remarkable mechanical strength and flexibility, as well... 
CHEMISTRY, PHYSICAL | ELECTRONIC-PROPERTIES | THERMODYNAMIC STABILITY | TI3C2 | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | MXENES | Axial stress | Transition metals | Solution strengthening | Deformation mechanisms | Mechanical properties | Flexibility | Molybdenum | Zirconium | Metal carbides | Dynamic stability | Titanium | Strategy | Dimensional stability
Journal Article
CHEMICAL REVIEWS, ISSN 0009-2665, 12/2019, Volume 119, Issue 23, pp. 11980 - 12031
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2018, Volume 20, Issue 21, pp. 14608 - 14618
Journal Article
Catalysis Today, ISSN 0920-5861, 11/2015, Volume 257, Issue 1, pp. 18 - 25
Series of precursors was prepared by precipitation of cobalt nitrate in aqueous solutions using various precipitation agents (NH 3 ·H 2 O, NaOH, Na 2 CO 3 )... 
Precursor synthesis | Co 3 O 4 catalyst | N 2 O decomposition | Cobalt spinel
Journal Article
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