Results 71 to 80 of about 251,313 (260)

Planar Solid‐State Nanopores Toward Scalable Nanofluidic Integration Based on CMOS Technology

open access: yesAdvanced Engineering Materials, EarlyView.
We present a scalable silicon‐based fabrication strategy for planar solid‐state nanopores to enable their integration with complex nanofluidic systems. Prototype devices demonstrate normal voltage‐current characteristics, good noise performance, and appreciable streaming currents. Our CMOS‐compatible fabrication process offers precise geometric control
Ngan Hoang Pham   +7 more
wiley   +1 more source

Detailed quantum mechanical, molecular docking, QSAR prediction, photovoltaic light harvesting efficiency analysis of benzil and its halogenated analogues

open access: yesHeliyon, 2019
The structural, spectroscopic various physico-chemical and biological characteristics of the organic molecule benzil (BZL) and derivatives, 1,2-bis(4-methylphneyl)-1,2-ethanedione (DMB), 4,4′-difluorobenzil (DFB), 4,4′-dichlorobenzil (DCB) and 4,4 ...
Y. Shyma Mary   +5 more
doaj   +1 more source

Electrochemical Evaluation of Compressed Selective Laser Melted AlSi7Mg and AlSi10Mg Alloys in Chloride Environment

open access: yesAdvanced Engineering Materials, EarlyView.
The corrosion performance of AlSi7Mg and AlSi10Mg alloys produced through selective laser melting (SLM) was examined under compressive stress in a chloride environment. Electrochemical analyses, including open‐circuit potential (OCP), potentiodynamic polarization (CPP), and electrochemical impedance spectroscopy (EIS), were complemented by scanning ...
Femi John Akinfolarin   +2 more
wiley   +1 more source

Quantum chemical determination of molecular geometries and spectral investigation of 4-ethoxy-2, 3-difluoro benzamide

open access: yesHeliyon, 2019
The present work reports the application of density functional theory (DFT) at B3LYP with various basis sets which provide the relationship between the structural and spectral properties of 4-ethoxy-2, 3-difluoro benzamide (4EDFB). A Complete vibrational
V. Vidhya, A. Austine, M. Arivazhagan
doaj   +1 more source

A Thermodynamic 3D Model for the Simulation of Diffusion‐Controlled Alloying Processes in Heterogeneous Material Structures

open access: yesAdvanced Engineering Materials, EarlyView.
A numerical model resulting from irreversible thermodynamics for describing transport processes is introduced, focusing on thermodynamic activity gradients as the actual driving force for diffusion. Implemented in CUDA C++ and using CalPhaD methods for determining the necessary activity data, the model accurately simulates interdiffusion in aluminum ...
Ulrich Holländer   +3 more
wiley   +1 more source

Role of Mineral Surfaces in Prebiotic Chemical Evolution. In Silico Quantum Mechanical Studies

open access: yesLife, 2019
There is a consensus that the interaction of organic molecules with the surfaces of naturally-occurring minerals might have played a crucial role in chemical evolution and complexification in a prebiotic era.
Albert Rimola   +2 more
doaj   +1 more source

N-((1H-Pyrrol-2-yl)methylene)-6-methoxypyridin-3-amine and Its Co(II) and Cu(II) Complexes as Antimicrobial Agents: Chemical Preparation, In Vitro Antimicrobial Evaluation, In Silico Analysis and Computational and Theoretical Chemistry Investigations. [PDF]

open access: yesMolecules, 2022
Mariwamy VH   +15 more
europepmc   +1 more source

LECTURE NOTES ON THEORETICAL CHEMISTRY. [PDF]

open access: yesJournal of the American Chemical Society, 1897
n ...
openaire   +2 more sources

The impact of theoretical chemistry in Biology

open access: yesCONTRIBUTIONS to SCIENCE, 2010
Recent advances in theoretical formalism together with the dramatic development of computer infrastructure have allowed enormous progress in achieving the dream of the founders of chemistry: to submit the majority of chemical phenomena to calculation.
Orozco López, Modesto   +1 more
openaire   +3 more sources

Investigation of Laser Ablation and Brush Pre‐Treatments for AlCu Cold Roll Bonding in Oxygen‐Free Conditions

open access: yesAdvanced Engineering Materials, EarlyView.
It is shown that laser ablation pretreatment under oxygen‐free conditions enables copper–aluminium bonding at significantly lower deformation degrees and improved properties compared to mechanical brushing. Laser ablation further increases interface contact area and induces favourable residual stress states and microstructural compatibility ...
Khemais Barienti   +11 more
wiley   +1 more source

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