Results 11 to 20 of about 104,037 (262)

Thermodynamic Stability Theories of Irreversible Processes and the Fourth Law of Thermodynamics. [PDF]

Entropy (Basel)
Three approaches for determining the thermodynamic stability of irreversible processes are described in generalized formulations. The simplest is the Gibbs–Duhem theory, specialized to irreversible trajectories, which uses the concept of virtual ...
Tangde VM, Bhalekar AA, Andresen B.
europepmc   +2 more sources

Thermodynamic stability of CuxAg1-x nanoparticles [PDF]

Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2017
Molecular dynamics method was applied to simulate processes of melting of disordered CuAg alloy particles in the D = 3 — 5 nm size range. It is shown that for small nanoparticles (diameter D = 3 nm) melting process is associated with formation of an ...
I.V. Chepkasov, N.D. Artemova, V.S. Baidyshev   +2 more
doaj   +1 more source

Complete Mapping of Thermodynamic Stability of Ternary Oxide SrTiO₃ (001) Surface at Finite Temperatures. [PDF]

Adv Sci (Weinh)
The oxide surface structure plays a vital role in controlling and utilizing the emergent phenomena occurring at the interface of nanoarchitecture.
Rahman MM, Oh S, Adhikari PR, Lee J.
europepmc   +2 more sources

Low-Molecular-Weight Fe(III) Complexes for MRI Contrast Agents

Molecules, 2022
Fe(III) complexes have again attracted much attention for application as MRI contrast agents in recent years due to their high thermodynamic stability, low long-term toxicity, and large relaxivity at a higher magnetic field.
Shangjun Chen, Lu An, Shiping Yang
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On the Chemical Origin of Biological Cognition

Life, 2022
One of life’s most striking characteristics is its mental dimension, one whose very existence within a material system has long been a deep scientific mystery.
Robert Pascal, Addy Pross
doaj   +1 more source

Selection of crucible oxides in molten titanium and titanium aluminum alloys by thermo-chemistry calculations [PDF]

Journal of Mining and Metallurgy. Section B: Metallurgy, 2005
Titanium and its alloys interstitially dissolve a large amount of impurities such as oxygen and nitrogen, which degrade the mechanical and physical properties of alloys.
Kostov A., Friedrich B.
doaj   +1 more source

Gadolinium Complex with Tris-Hydroxypyridinone as an Input for New Imaging Probes: Thermodynamic Stability, Molecular Modeling and Biodistribution. [PDF]

Molecules
The development of gadolinium-based magnetic resonance imaging (MRI) contrast agents (CAs) is a highly challenging and demanding research field in metal-coordination medicinal chemistry.
Dias I, Gano L, Chaves S, Santos MA.
europepmc   +2 more sources

Charge‐Compensated N‐Doped π‐Conjugated Polymers: Toward both Thermodynamic Stability of N‐Doped States in Water and High Electron Conductivity

Advanced Science, 2022
The understanding and applications of electron‐conducting π‐conjugated polymers with naphtalene diimide (NDI) blocks show remarkable progress in recent years.
Fabian Borrmann, Takuya Tsuda, Olga Guskova, Nataliya Kiriy, Cedric Hoffmann, David Neusser, Sabine Ludwigs, Uwe Lappan, Frank Simon, Martin Geisler, Bipasha Debnath, Yulia Krupskaya, Mahmoud Al‐Hussein, Anton Kiriy   +13 more
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Aqueous Solution Equilibria and Spectral Features of Copper Complexes with Tripeptides Containing Glycine or Sarcosine and Leucine or Phenylalanine

Inorganics, 2022
Copper(II) complexes of glycyl-L-leucyl-L-histidine (GLH), sarcosyl-L-leucyl-L-histidine (Sar-LH), glycyl-L-phenylalanyl-L-histidine (GFH) and sarcosyl-L-phenylalanyl-L-histidine (Sar-FH) have potential anti-inflammatory activity, which can help to ...
Giselle M. Vicatos, Ahmed N. Hammouda, Radwan Alnajjar, Raffaele P. Bonomo, Gabriele Valora, Susan A. Bourne, Graham E. Jackson   +6 more
doaj   +1 more source

Computation-accelerated discovery of the K2NiF4-type oxyhydrides combing density functional theory and machine learning approach

Frontiers in Chemistry, 2022
The emerging K2NiF4-type oxyhydrides with unique hydride ions (H−) and O2- coexisting in the anion sublattice offer superior functionalities for numerous applications.
Qiang Bai, Yunrui Duan, Jie Lian, Xiaomin Wang   +3 more
doaj   +1 more source