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Advanced Search Results For "CHEMICAL bonds"

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 "CHEMICAL bonds"
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Effect of Adding Intermediate Layers on the Interface Bonding Performance of WC-Co Diamond-Coated Cemented Carbide Tool Materials.

Publication Type: Academic Journal

Source(s): Molecules. Aug2023, Vol. 28 Issue 16, p5958. 15p.

Abstract: The interface models of diamond-coated WC-Co cemented carbide (DCCC) were constructed without intermediate layers and with different interface terminals, such as intermediate layers of TiC, TiN, CrN, and SiC. The adhesion work of the interface model wa...

First-principles calculation of electronic structure, chemical bonding and optical properties of β-AgBiS2.

Publication Type: Academic Journal

Source(s): Chalcogenide Letters. Aug2023, Vol. 20 Issue 8, p579-586. 8p.

Abstract: We investigated the structural, electronic, chemical bonding, and optical properties of β-AgBiS2 crystal by using the Perdew-Burke-Ernzerhof (PBE) functional and the hybrid functional Heyd Scuseria Ernzerhof (HSE) within the DFT formalism. The electron...

Chemical bonding properties of liquid methane under high-density conditions.

Publication Type: Academic Journal

Source(s): Journal of Applied Physics. 9/7/2023, Vol. 134 Issue 9, p1-10. 10p.

Abstract: We present the chemical bonding and electronic properties of liquid methane at temperatures from 2000 to 4000 K and high densities of up to 3.0 g/cm3, calculated using ab initio molecular dynamics simulations in combination with the Mulliken population...

Electronic-state chaos, intramolecular electronic energy redistribution, and chemical bonding in persisting multidimensional nonadiabatic systems.

Publication Type: Academic Journal

Source(s): Journal of Chemical Physics. 8/21/2023, Vol. 159 Issue 7, p1-21. 21p.

Abstract: We study the chaotic, huge fluctuation of electronic state, resultant intramolecular energy redistribution, and strong chemical bonding surviving the fluctuation with exceedingly long lifetimes of highly excited boron clusters. Those excited states con...

Students' Alternative Conceptions and Teachers' Views on the Implementation of Pedagogical Strategies to Improve the Teaching of Chemical Bonding Concepts.

Publication Type: Academic Journal

Source(s): International Journal of Engineering Pedagogy. 2023, Vol. 13 Issue 6, p90-107. 18p.

Abstract: The concept of chemical bonding is a crucial one in chemistry that occurs throughout the school curriculum and forms the basis of many topics in chemistry. Furthermore, learning about chemical bonding allows the learner to make predictions and provide ...

Chemical Bonding in the C 2 Molecule.

Publication Type: Academic Journal

Source(s): Inorganics. Jun2023, Vol. 11 Issue 6, p245. 22p.

Abstract: Bonding in the C2 molecule is investigated with CAS(8,8) wave functions using canonical MOs. In a subsequent step, orthogonal atomic orbitals are constructed by localizing the CASSCF MOs on the two carbon atoms with an orthogonal transformation. This o...

Equation of State Associated with Activity Coefficient Model Based on Elements and Chemical Bonds.

Publication Type: Academic Journal

Source(s): Processes. May2023, Vol. 11 Issue 5, p1499. 21p.

Abstract: A new element- and chemical bond-dependent GE-EoS model(SRK-UNICAC) is proposed to consider the deviation of the vapor and liquid phases from the ideal state. The SRK-UNICAC model combines the UNICAC model and the SRK cubic equation of state. It uses t...

Principle and Feasibility Study of Proposed Hydrate-Based Cyclopentane Purification Technology.

Publication Type: Academic Journal

Source(s): Energies (19961073). Jun2023, Vol. 16 Issue 12, p4681. 10p.

Abstract: The separation of azeotropic mixtures has conventionally been one of the most challenging tasks in industrial processes due to the fact that components in the mixture will undergo gas–liquid phase transition at the same time. We proposed a method for s...

Hydrogen Sensing Mechanism of WS 2 Gas Sensors Analyzed with DFT and NAP-XPS.

Publication Type: Academic Journal

Source(s): Sensors (14248220). May2023, Vol. 23 Issue 10, p4623. 17p.

Abstract: Nanostructured tungsten disulfide (WS2) is one of the most promising candidates for being used as active nanomaterial in chemiresistive gas sensors, as it responds to hydrogen gas at room temperature. This study analyzes the hydrogen sensing mechanism ...

Stochastic dynamics of substrate non-uniform stiffness affecting molecular adhesion in cell–substrate interface subjected to tensile loading.

Publication Type: Academic Journal

Source(s): Journal of Applied Physics. 6/14/2023, Vol. 133 Issue 22, p1-10. 10p.

Abstract: The mechanically heterogeneous extracellular matrix (ECM) or tissues widely exist in biological systems and are capable of significantly regulating directional cell migration. However, prior to whole cell movement, how the cell senses these cues from m...