Results 221 to 230 of about 8,251,356 (397)
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 +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]
Máximo-Canadas M, Rosa NMP, Borges I.
europepmc +1 more source
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 +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]
Domingo LR, Pérez P.
europepmc +1 more source
Revealing Molecular Electronic Structure via Analysis of Valence Electron Density
T. Lu, Qinxue Chen
semanticscholar +1 more source
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 +14 more
wiley +1 more source
Kinetic Energy of Hydrocarbons as a Function of Electron Density and Convolutional Neural Networks.
Kun Yao, John A. Parkhill
semanticscholar +1 more source
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 +6 more
wiley +1 more source
Topological Analysis of Electron Density in Graphene/Benzene and Graphene/hBN. [PDF]
Fedorov I.
europepmc +1 more source

