Results 191 to 200 of about 286,851 (309)

Influence of Molecular Parameters on Rate Constants of Thermal Dissociation/Recombination Reactions: The Reaction System CF₄ ⇄ CF₃ + F. [PDF]

J Phys Chem A, 2023
Cobos CJ, Tellbach E, Sölter L, Troe J.
europepmc   +1 more source

Additive Gaussian Process Regression for Predictive Design of High‐Performance, Printable Silicones

Advanced Engineering Materials, EarlyView.
A chemistry‐aware design framework for tuning printable polydimethylsiloxane (PDMS) for vat photopolymerization (VPP) is developed using additive Gaussian process (GP) modeling. Polymer network mechanics informs variable groupings, feasible formulation constraints, and interaction variables.
Roxana Carbonell, Martha Leach, Hongtao Song, Carolyn Seepersad   +3 more
wiley   +1 more source

Inverse numerical modeling for predicting kinetic rate constants in polyolefin pyrolysis based on product yield distribution for efficient plastic recycling. [PDF]

Sci Rep
Nabi RAU, Haq RU, Adnan M, Wang T, Khawaja HA.   +4 more
europepmc   +1 more source

A blind benchmark of analysis tools to infer kinetic rate constants from single-molecule FRET trajectories. [PDF]

Nat Commun, 2022
Götz M, Barth A, Bohr SS, Börner R, Chen J, Cordes T, Erie DA, Gebhardt C, Hadzic MCAS, Hamilton GL, Hatzakis NS, Hugel T, Kisley L, Lamb DC, de Lannoy C, Mahn C, Dunukara D, de Ridder D, Sanabria H, Schimpf J, Seidel CAM, Sigel RKO, Sletfjerding MB, Thomsen J, Vollmar L, Wanninger S, Weninger KR, Xu P, Schmid S.   +28 more
europepmc   +1 more source

Thermodynamic Pathways of Nonequilibrium Solidification in Wire‐Arc Additive Manufacturing Fe‐Based Multicomponent Alloy Structures

Advanced Engineering Materials, EarlyView.
Geometry‐driven thermal behavior in wire‐arc additive manufacturing (WAAM) influences microstructural evolution during nonequilibrium solidification of a chemically complex Fe–Cr–Nb–W–Mo–C nanocomposite system. By comparing different deposits configurations, distinct entropy–cooling rate correlations, segregation, and carbide evolution are revealed ...
Blanca Palacios, Anthony Gonzalez, Aleksander Aleman, Tyler Dolmetsch, Tanaji Paul, Arvind Agarwal   +5 more
wiley   +1 more source

A Multiscale Simulation Approach to Compute Protein-Ligand Association Rate Constants by Combining Brownian Dynamics and Molecular Dynamics. [PDF]

J Chem Inf Model
Muñiz-Chicharro A, Ganotra GK, Wade RC.
europepmc   +1 more source

Deconvoluting Kinetic Rate Constants of Catalytic Substrates from Scanning Electrochemical Approach Curves with Artificial Neural Networks. [PDF]

ACS Meas Sci Au, 2023
Rajapakse D, Meckstroth J, Jantz DT, Camarda KV, Yao Z, Leonard KC.   +5 more
europepmc   +1 more source

Thermomechanical Fatigue and Creep–Fatigue Interaction of Inconel 718 Additively Manufactured by Laser Beam Powder Bed Fusion

Advanced Engineering Materials, EarlyView.
Thermomechanical fatigue tests of laser beam powder bed fusion (PBF‐LB) Inconel 718 show that the additively manufactured material reaches almost the lifetimes of conventionally‐rolled material under no‐dwell conditions. Introducing dwell times at the maximum temperature markedly reduces the lifetimes due to pronounced grain boundary sliding associated
Stefan Guth, Tomáš Babinský, Jan Lars Riedel, Wen Hao Kan, Aijun Huang, Martin Heilmaier, Ivo Šulák   +6 more
wiley   +1 more source

Nucleotide Exchange Mechanism Involving Angle-Dependent Rate Constants Extracted from F1-ATPase Single-Molecule Rotation Trajectories. [PDF]

J Phys Chem B
Volkán-Kacsó S, Matute RA, Michel-Beyerle ME, Khatchikian O, Marcus RA.   +4 more
europepmc   +1 more source

Do initial concentration and activated sludge seasonality affect pharmaceutical biotransformation rate constants? [PDF]

Appl Microbiol Biotechnol, 2021
van Bergen TJHM, Rios-Miguel AB, Nolte TM, Ragas AMJ, van Zelm R, Graumans M, Scheepers PTJ, Jetten MSM, Hendriks AJ, Welte CU.   +9 more
europepmc   +1 more source