Results 221 to 230 of about 8,251,356 (397)

Four‐Point Bending Tests at High Temperatures on Commercial MgO‐C Refractory Bricks with and Without Recyclate Considering Different Carbon Contents

Advanced Engineering Materials, EarlyView.
Four‐point bending tests are conducted in an argon atmosphere on commercial MgO‐C brick grades with and without MgO‐C recyclate from room temperature up to 1300 °C. No detrimental effect of the MgO‐C recyclates on bending strength is found. Instead, a decisive influence of the total carbon content is observed, with lower total carbon contents ...
Alexander Schramm, Lukas Knöchel, Thomas Schemmel, Christos G. Aneziris, Anja Weidner, Horst Biermann   +5 more
wiley   +1 more source

Aromaticity of Substituted Benzene Derivatives Employing a New Set of Aromaticity Descriptors Based on the Partition of Electron Density. [PDF]

J Comput Chem
Máximo-Canadas M, Rosa NMP, Borges I.
europepmc   +1 more source

Engineering Deformation and Failure in Diamond Triply Periodic Minimal Surface Lattices via 3D Wall‐Thickness Grading

Advanced Engineering Materials, EarlyView.
The work demonstrates that strategic wall‐thickness grading in diamond triply periodic minimal surface lattices enables precise tuning of deformation and failure behavior under compression. Different gradation patterns guide how and where the structure collapses, improving energy absorption or promoting controlled brittle failure.
Giovanni Rizza, Danilo Bruson, Manuela Galati, Luca Iuliano   +3 more
wiley   +1 more source

Unveiling the Role of the Lewis Acids in the Acceleration of Alder-Ene Reactions: A Molecular Electron Density Theory Study. [PDF]

Molecules
Domingo LR, Pérez P.
europepmc   +1 more source

Revealing Molecular Electronic Structure via Analysis of Valence Electron Density

, 2017
T. Lu, Qinxue Chen
semanticscholar   +1 more source

Removing Homocoupling Defects in Alkoxy/Alkyl‐PBTTT Enhances Polymer:Fullerene Co‐Crystal Formation and Stability

Advanced Functional Materials, EarlyView.
PBTTT‐OR‐R, a C14‐alkoxy/alkyl‐PBTTT polymer derivative, is of substantial interest for optoelectronics due to its specific fullerene intercalation behavior and enhanced charge‐transfer absorption. Comparing this polymer with (S) and without (O) homocoupling defects reveals that PBTTT‐OR‐R(O) forms stable co‐crystals with PC61BM, while PBTTT‐OR‐R(S ...
Zhen Liu, Jochen Vanderspikken, Paola Mantegazza, Stefania Moro, Mouna Hamid, Sigurd Mertens, Niko Van den Brande, Laurence Lutsen, Vincent Lemaur, David Beljonne, Giovanni Costantini, Koen Vandewal, Bruno Van Mele, Wouter Maes, Bart Goderis   +14 more
wiley   +1 more source

Kinetic Energy of Hydrocarbons as a Function of Electron Density and Convolutional Neural Networks.

Journal of Chemical Theory and Computation, 2016
Kun Yao, John A. Parkhill
semanticscholar   +1 more source

Exploring Dipolar Dynamics and Ionic Transport in Metal‐Organic Frameworks: Experimental and Theoretical Insights

Advanced Functional Materials, EarlyView.
In this study, the interplay of dipolar dynamics and ionic charge transport in MOF compounds is investigated. Synthesizing the novel structure CFA‐25 with integrated freely rotating dipolar groups, local and macroscopic effects, including interactions with Cs cations are explored.
Ralph Freund, Arthur Schulz, Peter Lunkenheimer, Maryana Kraft, Thomas Bergler, Harald Oberhofer, Dirk Volkmer   +6 more
wiley   +1 more source

Topological Analysis of Electron Density in Graphene/Benzene and Graphene/hBN. [PDF]

Materials (Basel)
Fedorov I.
europepmc   +1 more source