Results 21 to 30 of about 88,027 (290)
An approach to chemical hardness through Shannon's entropy
Journal of Mathematical Chemistry, 2022 Abstract Shannon's entropy is a concept that has been present in the field of theoretical chemistry since the early 70s, its versatilityhas permitted associate this concept with the chemical reactivity theory. In this work, we present a development that relates Shannon'sentropy with chemical hardness, the equations obtained were applied to a ...
Flores-Gallegos, N., Flores-Gómez, L.
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Relations between potential energy, electronic chemical potential, and hardness profiles [PDF]
, 1997 In recent papers we defined a theoretical frame aimed at characterizing the hardness and potential energy profiles along a reduced reaction coordinate (omega) varying from 0 to 1.
Melin, Junia +4 more
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Study of Hardness of Superhard Crystals by Topological Indices
Journal of Chemistry, 2021 Topological indices give immense information about a molecular structure or chemical structure. The hardness of materials for the indentation can be defined microscopically as the total resistance and effect of chemical bonds in the respective materials.
Xiujun Zhang +3 more
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Journal of Materials Research and Technology, 2021 With the wide application of nanocomposite protective coatings in various fields, there are higher requirements for their properties. At the same time, the traditional chemical deposition and electrodeposition processes have defects with different ...
Yongfeng Li +6 more
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Hard-sphere fluids with chemical self-potentials [PDF]
Journal of Mathematical Physics, 2010 The existence, uniqueness, and stability of solutions are studied for a set of nonlinear fixed point equations which define self-consistent hydrostatic equilibria of a classical continuum fluid that is confined inside a container Λ¯⊂R3 and in contact with either a heat and a matter reservoir, or just a heat reservoir.
Kiessling, M. K.-H., Percus, J. K.
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Indian Journal of Dental Research, 2020 Objective: This study evaluated the effect of chemical disinfection and microwave irradiation on the surface hardness and roughness of two commercially available hard relining materials (Ufi Gel hard, GC Kooliner) and one denture base resin (Trevalon ...
Rohit Kabra +7 more
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Química Nova, 2002 The chemical durability of the Li2O-ZrO2-BaO-SiO2 system was examined by determination of the Vickers hardness. The dependence of hardness and of the chemical resistance with BaO addition was investigated.
Silvia Denofre de Campos +3 more
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Reactivity and Stability of Metalloporphyrin Complex Formation: DFT and Experimental Study
Molecules, 2020 The interaction of three cationic porphyrins—meso-tetrakis (N-methylpyridinium-4-yl) porphyrin (TMPyP), meso-tetrakis (1,3-dimethylimidazolium-2-yl) porphyrin (TDMImP), and meso-tetrakis (1,2-dimethylpyrazolium-4-yl) porphyrin (TDMPzP)—with five heavy ...
Rimadani Pratiwi +2 more
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Surface Roughness, Hardness and FTIR of the Modified Soft Liner with Different Metal Oxide Nanoparticles [PDF]
Al-Rafidain Dental Journal, 2022 Aims: To study the effect of metal oxide nanoparticles (MgO, ZrO2, ZnO) on acrylic based soft liner surface properties and FTIR. Materials and Methods: Acrylic-based softliner specimens were prepared by adding three different concentrations (0.5, 1, and
Mohammed M Sadoon, Ammar Kh. Al-Noori
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Chemical potential of a test hard sphere of variable size in a hard-sphere fluid [PDF]
The Journal of Chemical Physics, 2016 The Labík and Smith Monte Carlo simulation technique to implement the Widom particle insertion method is applied using Molecular Dynamics (MD) instead to calculate numerically the insertion probability, P0(η,σ0), of tracer hard-sphere (HS) particles of different diameters, σ0, in a host HS fluid of diameter σ and packing fraction, η, up to 0.5.
David M. Heyes, Andrés Santos
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