Výsledky vyhledávání - "Kushal Ghale"

DFT-Based Method for More Accurate Adsorption Energies: An Adaptive Sum of Energies from RPBE and vdW Density Functionals

Autor: Kushal Ghale, Ye Xu, Alyssa J. R. Hensley, Thanh Dang, Emily S. Anderst, Charles T. Campbell, Carolin Rieg, Jean-Sabin McEwen, Felix Studt

Publikováno v: The Journal of Physical Chemistry C. 121:4937-4945

In recent years, the popularity of density functional theory with periodic boundary conditions (DFT) has surged for the design and optimization of functional materials. However, no single DFT exchange–correlation functional currently available give

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::2470e53fd71a807205a6c315b13b6431
https://doi.org/10.1021/acs.jpcc.6b10187

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Pd–Ir Core–Shell Nanocubes: A Type of Highly Efficient and Versatile Peroxidase Mimic

Autor: Jiabin Liu, Kushal Ghale, Jingtuo Zhang, Ye Xu, Moon J. Kim, Xiaohu Xia, Haihang Ye, Erin McKenzie, Ning Lu

Publikováno v: ACS Nano. 9:9994-10004

Peroxidase mimics with dimensions on the nanoscale have received great interest as emerging artificial enzymes for biomedicine and environmental protection. While a variety of peroxidase mimics have been actively developed recently, limited progress

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::56ba9616d3c54759e300cf8fe45ea11c
https://doi.org/10.1021/acsnano.5b03525

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Crystallization and Melting Behaviors of Cyclic and Linear Polypeptoids with Alkyl Side Chains

Autor: Donghui Zhang, Chang-Uk Lee, Kushal Ghale, Ang Li

Publikováno v: Macromolecules. 46:8213-8223

A series of cyclic and linear poly(N-alkyl glycine)s (a.k.a. polypeptoids) with various linear and branched alkyl side chains (n = 2, 4, 6, 8, 10, 12, and 14) were synthesized by N-heterocyclic carbene or benzylamine-initiated polymerizations of the

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::32616e20ba2c6feaff5a51c6298e80dc
https://doi.org/10.1021/ma401067f

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Synthesis and characterization of cyclic and linear helical poly(α-peptoid)s by N-heterocyclic carbene-mediated ring-opening polymerizations of N-substituted N-carboxyanhydrides

Autor: Donghui Zhang, Kushal Ghale, Jinhai Li, Li Guo, Zachary J. Brown

Publikováno v: Biopolymers. 96:596-603

Cyclic poly(α-peptoid)s [a.k.a. poly(N-R-glycine)] with chiral aromatic side-chains [R = (R)- or (S)-CHMePh] have been synthesized by N-heterocyclic carbene-mediated ring-opening polymerization of N-substituted N-carboxyanhydrides (NR-NCA). Their li

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1f4ecd31cbd24eb89317fe0788a78ff9
https://doi.org/10.1002/bip.21597

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