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Desarrollo y aceleración hardware de metodologías de descripción y comparación de compuestos orgánicos

• Authors : Oliver Gelabert, Antoni; University/Department: Universitat de les Illes Balears. Departament de Física; ...

Subjects: Field Programable Gate Array (FPGA); Stochastic Computing; Random Number Generator (RNG)

• Source: TDX (Tesis Doctorals en Xarxa)

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Defective ZrSe2: a promising candidate for spintronics applications

• Authors : Kheirabadi, Sharieh Jamalzadeh; Behzadi, Fahimeh; Gity, Farzan

Subjects: 2D materials; density functional theory (DFT); point defect

• Source: Journal of Physics. 36(13)

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Formation of hydrogen bonding network of methane sulfonic acid at low degree of hydration (MSA)m·(H2O)n (m = 1–2 and n = 1–5)

• Authors : Ahmad Telfah; Z. Charifi; N. latelli

Subjects: Density functional theory (DFT); Methane sulfonic acid ( $${\text{MSA}}$$ MSA ); Hydrated clusters

• Source: Scientific Reports, Vol 14, Iss 1, Pp 1-14 (2024)

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Wetting kinetics of TixMo1-xC in molten Fe and its influence on bicontinuous TixMo1-xC/Fe composite mechanics: Experimental, DFT and ML studies

• Authors : Zhexuan Zhang; Yang Zhou; Ranran Cai

Subjects: TixMo1-xC/Fe composites; Wetting kinetics; Mechanical properties

• Source: Journal of Materials Research and Technology, Vol 30, Iss , Pp 295-306 (2024)

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Experimental and first-principles insights into an enhanced performance of Ru-doped copper phosphate electrocatalyst during oxygen evolution reaction

• Authors : Jasmin S. Shaikh; Meena Rittiruam; Tinnakorn Saelee

Subjects: Density functional theory (DFT); Relative hydrogen electrode (RHE); Water splitting

• Source: South African Journal of Chemical Engineering, Vol 48, Iss , Pp 306-316 (2024)

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New strategies in metal oxide nanowire based gas sensors

• Authors : Shao, Feng; University/Department: Universitat de Barcelona. Departament d'Electrònica; ...

Subjects: Electrònica; Electrónica; Electronics

• Source: TDX (Tesis Doctorals en Xarxa)

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The hard X-ray performance of pixelated CdTe-based detectors using Monte Carlo and ab initio simulations

• Authors : Koch-Mehrin, Kjell A. L.

Subjects: CdTe-based detectors; hard X-ray; pixelated semiconductor radiation detectors

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Calculating the Raman signal of solid hydrogen beyond perturbation theory

• Authors : Cooke, Peter I. C.;

Subjects: Raman signal; solid hydrogen; perturbation theory

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Disorder-induced spin liquids

• Authors : Northam De La Fuente, Tomas

Subjects: Quantum spin liquid; Classical spin ice; Polarised neutron diffraction

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Localized surface plasmon resonance sensing of Trenbolone acetate dopant using silver nanoparticles

• Authors : Moses Wabwile Juma; Zephania Birech; Nancy Mwikali Mwenze

Subjects: Trenbolone acetate; Doping; Localized surface plasmon resonance (LSPR)

• Source: Scientific Reports, Vol 14, Iss 1, Pp 1-13 (2024)

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