Zobrazeno 1 - 10 of 53 pro vyhledávání: '"Jerry A. Darsey"'
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Akademický článek
Artificial Intelligence Modeling of Materials’ Bulk Chemical and Physical Properties
Autor: Jerry A. Darsey
Publikováno v: Crystals, Vol 14, Iss 10, p 866 (2024)
Energies of the atomic and molecular orbitals belonging to one and two atom systems from the fourth and fifth periods of the periodic table have been calculated using ab initio quantum mechanical calculations. The energies of selected occupied and un
Externí odkaz: https://doaj.org/article/c9ee518ad37749ada6c66bbd1c1d409b
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2
Artificial Intelligence and Cancer Drug Development
Autor: Hong-Yu Li, Fan Yang, Mary Qu Yang, Jerry D Darsey, Shanzhi Wang, Anindya Ghosh
Publikováno v: Recent Patents on Anti-Cancer Drug Discovery. 17:2-8
Background: The development of cancer drugs is among the most focused “bench to bedside activities” to improve human health. Because of the amount of data publicly available to cancer research, drug development for cancers has significantly benef
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8af52f0015de8a3af3c8f48fe775a56b
https://doi.org/10.2174/1574892816666210728123758
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7
Artificial neural network prediction indicators of density functional theory metal hydride models
Autor: Jerry A. Darsey, William O. Griffin
Publikováno v: International Journal of Hydrogen Energy. 38:11920-11929
The metal hydride is a capable candidate for mobile storage for hydrogen-powered vehicles. An artificial neural network (ANN) has proved useful for many applications, and capable of much more in discovery of new materials. Because of its ability to g
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::5fd67b86f5446cc2540a3ca92b155704
https://doi.org/10.1016/j.ijhydene.2013.06.138
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8
Predicting CYP2C19 catalytic parameters for enantioselective oxidations using artificial neural networks and a chirality code
Autor: Grover P. Miller, Sun-Ha Park, Chul-Ho Yun, Jessica H. Hartman, Jerry A. Darsey, Steven D. Cothren
Publikováno v: Bioorganic & Medicinal Chemistry. 21:3749-3759
Cytochromes P450 (CYP for isoforms) play a central role in biological processes especially metabolism of chiral molecules; thus, development of computational methods to predict parameters for chiral reactions is important for advancing this field. In
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ffc0b94af46adbf7993798860de77022
https://doi.org/10.1016/j.bmc.2013.04.044
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9
The role of substituents of chlorostannoxanes on the reactivity of the catalysts during the synthesis of cyclic carbonates using epoxides and carbon dioxide
Autor: Jerry A. Darsey, Vedavalli N. Pokala, Jerry L. Dallas, Pradip Munshi, Benjamin L. Jarvis, Punnamchandar Ramidi, Anindya Ghosh, Sharon Pulla, William O. Griffin
Publikováno v: Greenhouse Gases: Science and Technology. 2:66-74
We report a study on the effect of substituents on the activity of chlorostannoxane catalysts in coupling epoxides and carbon dioxide for cyclic carbonate synthesis. All butyl-substituted (1a) chlorostannoxane was found to yield cyclic carbonates in
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::3208fc02b6178125d1807c118f28dc1d
https://doi.org/10.1002/ghg.43
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10
Catalytic Cyclic Carbonate Synthesis Using Epoxide and Carbon Dioxide: Combined Catalytic Effect of Both Cation and Anion of an Ionic CrV(O) Amido Macrocyclic Complex
Autor: Ali U. Shaikh, Jerry A. Darsey, Pradip Munshi, Yashraj Gartia, Shane Z. Sullivan, Abhijit Biswas, William O. Griffin, Anindya Ghosh, Punnamchandar Ramidi
Publikováno v: Industrial & Engineering Chemistry Research. 50:7800-7807
We have studied an ionic CrV(O) complex of a cyclic amido ligand (1) for cyclic carbonate synthesis using epoxide and carbon dioxide (CO2) as starting materials. Lithium salt of 1 (Li1) showed a high turnover number (TON) of 2950 at 180 °C and 450 p
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::deb8dc27652f0979c9cdbfd0e47053ef
https://doi.org/10.1021/ie2003939
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