Results 171 to 180 of about 590,847 (290)

Multivariate covalent organic frameworks with tailored electrostatic potential promote nitrate electroreduction to ammonia in acid. [PDF]

Nat Commun
Cheng Q, Liu S, He Y, Wang M, Ji H, Huan Y, Qian T, Yan C, Lu J.   +8 more
europepmc   +1 more source

Fingerprinting the Ammonia Synthesis Pathway Using Spatiotemporal Electrostatic Potential Distribution of Intermediates. [PDF]

ACS Omega, 2021
Li J, Shen X, Pan Y, Peng Z.
europepmc   +1 more source

Additive Manufacturing of Continuous Fibre Reinforced Composites: Process, Characterisation, Modelling, and Sustainability

Advanced Engineering Materials, EarlyView.
Additive manufacturing provides precise control over the placement of continuous fibres within polymer matrices, enabling customised mechanical performance in composite components. This article explores processing strategies, mechanical testing, and modelling approaches for additive manufactured continuous fibre‐reinforced composites.
Cherian Thomas, Amir Hosein Sakhaei
wiley   +1 more source

Artistic anti-counterfeiting with a pH-responsive fluorescent ink using DFT and molecular electrostatic potential mapping insights. [PDF]

Sci Rep
Tohamy HS.
europepmc   +1 more source

Time‐Dependent Oxidation and Scale Evolution of a Wrought Co/Ni‐Based Superalloy

Advanced Engineering Materials, EarlyView.
This study shows how a new wrought Co/Ni‐based superalloy resists oxidation at 800 ∘$^\circ$C. The oxide scale changes from rough, fast‐growing spinel to a dense, protective chromia–alumina layer. Atom probe analysis reveals tiny refractory‐rich bubbles at the interface that mark the transition to long‐term, diffusion‐controlled protection ...
Cameron Crabb, Zachary T. Kloenne, Samuel R. Rogers, Chi Hang Dominik Kwok, Mark C. Hardy, Michele S. Conroy, David Dye   +6 more
wiley   +1 more source

Insights on Regioselective Synthesis of Fused Thiazoles: Density Functional Theory Calculations, Local Reactivity Indices, and Molecular Electrostatic Potential Analysis. [PDF]

ChemistryOpen
Al-Hazmi GH, Al-Humaidi JY, Riyadh SM, Ahmed MSM, Zaki MEA, Alruwaili AH, Alanazi KA, Almutairi RH, Gomha SM.   +8 more
europepmc   +1 more source

Identification of Mg²⁺ ions next to nucleotides in cryo-EM maps using electrostatic potential maps. [PDF]

Acta Crystallogr D Struct Biol, 2021
Wang J, Natchiar SK, Moore PB, Klaholz BP.   +3 more
europepmc   +1 more source

High‐Temperature Nanoindentation of Metals: Assessing Thermal Drift, Frame Compliance, and Chemical Composition Effects on the Reported Mechanical Properties

Advanced Engineering Materials, EarlyView.
Do not let thermal drift and instrument artifacts deceive high‐temperature nanoindentation results. We compare classical Oliver–Pharr and automatic image recognition analyses across steels and a Ni alloy to quantify these effects. Accounting for artifacts reveals systematic softening with temperature, while Cr and Ni additions boost resistance ...
Velislava Yonkova, Steffen Brinckmann, Ruth Schwaiger   +2 more
wiley   +1 more source

AI/ML-Driven DPP-4 Inhibitor Predictor (d4p_v1) for Enhanced Type 2 Diabetes Mellitus Management: Insights Into Chemical Space, Fingerprints, and Electrostatic Potential Maps. [PDF]

Arch Pharm (Weinheim)
Manhas A, Dutta R, Piotto S, Amin SA.
europepmc   +1 more source

Electrostatic Potential Field Effects on Amine Macrocyclizations within Yoctoliter Spaces: Supramolecular Electron Withdrawing/Donating Groups. [PDF]

J Phys Chem B, 2021
Yao W, Wang K, Ismaiel YA, Wang R, Cai X, Teeler M, Gibb BC.   +6 more
europepmc   +1 more source