Results 131 to 140 of about 77,438 (264)

Insights into Mechanism and Kinetics of Toluene Reactions with CH₃ Radicals: A Theoretical Study. [PDF]

ACS Omega
Pham TV, Le TPT, Nguyen NT, Nam PC.
europepmc   +1 more source

Estimates for the asymptotic order of a Grötzsch ring constant

Tohoku Mathematical Journal, 1982
Anderson, Glen D., Vamanamurthy, Mavina K.   +1 more
openaire   +3 more sources

Workflow for Design of Experiments‐Based Modeling of Species Transport and Growth Kinetics in GaN Hydride Vapor Phase Epitaxy

Advanced Engineering Materials, EarlyView.
A novel workflow for investigating hydride vapor phase epitaxy for GaN bulk crystal growth is proposed. It combines Design of experiments (DoE) with physical simulations of mass transport and crystal growth kinetics, serving as an intermediate step between DoE and experiments.
J. Tomkovič, G. Lukin, H. Torkashvand, A. Kerschbaum, M. Müller, S. Besendörfer, J. Heitmann, J. Friedrich   +7 more
wiley   +1 more source

Predicting Activation Barriers With Ring and Bond Critical Points in the Kemp Elimination Reaction. [PDF]

Chemphyschem
Redmon H, Ly KH, Mulcahey J, Morgenstern A.   +3 more
europepmc   +1 more source

Symmetry‐Guided Multifunctional Acoustic System Based on Mechanically Actuated Sonic Crystals

Advanced Engineering Materials, EarlyView.
This study presents the design, simulation, and experimental validation of amultifunctional acoustic metamaterial based on rotationally engineered sonic crystals.By tuning cylinder orientations, controllable band gaps and six distinct functionalities—including switching, topological insulation, beam splitting, and logic operations—areachieved ...
Yuanyan Zhao, Sriram Subramanian, Gianluca Memoli   +2 more
wiley   +1 more source

Thermodynamics of Acidity and Photoacidity in <i>trans</i>-Resveratrol Analogues: The Role of Prototropic Tautomerism. [PDF]

ACS Omega
Kováčová A, Michalík M, Lukeš V.
europepmc   +1 more source

Microstructure Reconstruction in Battery Electrodes Using Machine Learning Based on Low‐Voltage Focused Ion Beam–Scanning Electron Microscopy Tomography Images

Advanced Engineering Materials, EarlyView.
Low‐voltage FIB‐SEM tomography combined with a image preprocessing pipeline improves phase contrast and enables reliable machine‐learning segmentation of conductive networks in lithium‐ion battery electrodes. Structural descriptors are extracted from segmented images, done semimanually and automated, and compared.
Lisa Beran, Vincent Nebel, Dominik Perius, Kshitij Kumar, Yannis Heim, Laura Bies, Tobias Kraus   +6 more
wiley   +1 more source

Resolving Conformational Preferences of Monosaccharides from ¹H and ¹³C NMR Chemical Shifts Using an Integrated MD and QM Approach. [PDF]

J Chem Inf Model
Plazinski W, Widmalm G.
europepmc   +1 more source

Inverse Identification of Energy‐Dependent Laser Absorptivity in NiTi Laser Powder‐Bed Fusion via Calibrated Melt Pool Simulation

Advanced Engineering Materials, EarlyView.
A combined experimental–computational framework identifies energy‐dependent laser absorptivity for NiTi in laser powder‐bed fusion, applicable to conduction and transition modes. Single‐track experiments and thermofluid smoothed particle hydrodynamics simulations are coupled through inverse analysis of melt pool geometry.
Mohamadreza Afrasiabi, Hadi Moutablaleh, Ignatius A. Setiawan, Mehrshad Mehrpouya   +3 more
wiley   +1 more source

Study on the Intramolecular H-Migration Kinetics of Strained Polycyclic Hydrocarbons with Distinct <i>Cis</i> and <i>Trans</i> Configurations. [PDF]

Molecules
Yao X, Xuan Y, Guo J, Liu M, Li Z, Li Z.
europepmc   +1 more source