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Experimental and Computational Investigations of the Reaction of OH with CF3I and the Enthalpy of Formation of HOI
Article on experimental and computational investigations of the reaction of OH with CF3I and the enthalpy of formation of HOI.
Date:
June 11, 1998
Creator:
Berry, Rajiv; Yuan, Jessie; Misra, Ashutosh & Marshall, Paul
System:
The UNT Digital Library
Experimental and ab Initio Investigations of the Kinetics of the Reaction of H Atoms with H2S
Article on experimental and ab initio investigations of the kinetics of the reaction of H atoms with H2S.
Date:
June 11, 1999
Creator:
Peng, Jingping; Hu, Xiaohua & Marshall, Paul
System:
The UNT Digital Library
Microstructural Design for Improving Ductility of An Initially Brittle Refractory High Entropy Alloy
This article presents a novel approach to microstructural engineering of refractory high-entropy alloys (RHEAs) to form an "inverted" BCC+B2 microstructure.
Date:
June 11, 2018
Creator:
Soni, V.; Senkov, O. N.; Gwalani, B.; Miracle, D. B. & Banerjee, Rajarshi
System:
The UNT Digital Library
Towards large scale hybrid QM/MM dynamics of complex systems with advanced point dipole polarizable embeddings
Article presents a general route to hybrid Quantum Mechanics/Molecular Mechanics (QM/MM) Molecular Dynamics for complex systems using a polarizable embedding.
Date:
June 11, 2019
Creator:
Loco, Daniele; Lagardère, Louis; Cisneros, Gerardo Andrés; Scalmani, Giovanni; Frisch, Michael; Lipparini, Filippo et al.
System:
The UNT Digital Library
Tribo-corrosion response of additively manufactured high-entropy alloy
Article highlighting the potential of utilizing additive manufacturing of HEAs for use in extreme environments that require a combination of tribo-corrosion resistance, mechanical durability, extended service life, and net shaping with low dimensional tolerance.
Date:
June 11, 2021
Creator:
Shittu, Jibril; Sadeghilaridjani, Maryam; Pole, M.; Muskeri, Saideep; Ren, Jie; Liu, Yanfang et al.
System:
The UNT Digital Library
Early Oxidative Transformations During the Biosynthesis of Terrein and Related Natural Products
This article combines heterologous expression and in vitro studies to show that the flavin-dependent monooxygenase (FMO) TerC catalyzes the initial oxidative decarboxylation of 6-HM. The results demonstrate that the biosynthetic pathways of terrein and related(polychlorinated) congeners diverge after oxidative decarboxylation of the lactone precursor that is catalyzed by a conserved FMO and further indicate that early dehydration of the side chain is an essential step.
Date:
June 11, 2021
Creator:
Kahlert, Lukas; Bernardi, Darlon; Hauser, Maurice; Lóca, Laura P.; Berlinck, Roberto G. S.; Skellam, Elizabeth et al.
System:
The UNT Digital Library