Zobrazeno 1 - 10
of 20
pro vyhledávání: '"Der‐You Kao"'
Publikováno v:
Magnetochemistry, Vol 3, Iss 4, p 31 (2017)
Without self-interaction corrections or the use of hybrid functionals, approximations to the density-functional theory (DFT) often favor intermediate spin systems over high-spin systems. In this paper, we apply the recently proposed Fermi–Löwdin-o
Externí odkaz:
https://doaj.org/article/4a430c0d6d6347feae193e3ae9d72798
Autor:
Der-you Kao, 高德祐
94
Cilia are rod-like structures. They always occur in large numbers on cell surface. The primary function of a cilium is to generate fluid flow in a preferred direction. Therefore, a cilium could be used for locomotion and transportation. The b
Cilia are rod-like structures. They always occur in large numbers on cell surface. The primary function of a cilium is to generate fluid flow in a preferred direction. Therefore, a cilium could be used for locomotion and transportation. The b
Externí odkaz:
http://ndltd.ncl.edu.tw/handle/2x9abr
Publikováno v:
Macromolecules (Online) 53 (2020). doi:10.1021/acs.macromol.9b02074
info:cnr-pdr/source/autori:Jia-Wei Yeh [1], Alessandro Taloni [2], K. K. Sriram[3], Jie-Pan Shen[4], Der-You Kao[5], Chia-Fu Chou[6]/titolo:Nanoconfinement-Induced DNA Reptating Motion and Analogy to Fluctuating Interfaces/doi:10.1021%2Facs.macromol.9b02074/rivista:Macromolecules (Online)/anno:2020/pagina_da:/pagina_a:/intervallo_pagine:/volume:53
info:cnr-pdr/source/autori:Jia-Wei Yeh [1], Alessandro Taloni [2], K. K. Sriram[3], Jie-Pan Shen[4], Der-You Kao[5], Chia-Fu Chou[6]/titolo:Nanoconfinement-Induced DNA Reptating Motion and Analogy to Fluctuating Interfaces/doi:10.1021%2Facs.macromol.9b02074/rivista:Macromolecules (Online)/anno:2020/pagina_da:/pagina_a:/intervallo_pagine:/volume:53
Macromolecules in an entangled environment are constrained to wriggle predominantly along a confining tube, giving rise to the so-called reptation or tube-like motion. While the principles of polymer physics were well developed to understand its conf
Autor:
Tunna Baruah, Koblar A. Jackson, Yoh Yamamoto, Der‐You Kao, Sebastian Schwalbe, Jens Kortus, Rajendra R. Zope, Torsten Hahn, Kai Trepte, Kushantha Withanage, Juan E. Peralta
Publikováno v:
Journal of Computational Chemistry. 40:820-825
We derived, implemented, and thoroughly tested the complete analytic expression for atomic forces, consisting of the Hellmann-Feynman term and the Pulay correction, for the Fermi-Lowdin orbital self-interaction correction (FLO-SIC) method. Analytic f
Autor:
Emily Mason, B. Lakew, Haris Riris, Daniel R. Cremons, D. M. H. Baker, Lavender Hanson, Rafael Rincon, Lynn M. Carter, Michael D. Smith, James B. Abshire, Der-you Kao, Alain Khayat, Scott D. Guzewich
Publikováno v:
Bulletin of the AAS. 53
Autor:
Der-you Kao, Withanage, Kushantha, Hahn, Torsten, Batool, Javaria, Kortus, Jens, Jackson, Koblar
Publikováno v:
Journal of Chemical Physics; 10/28/2017, Vol. 147 Issue 16, p1-9, 9p, 5 Diagrams, 2 Charts, 2 Graphs
Publikováno v:
Journal of Chemical Physics; 2016, Vol. 144 Issue 16, p1-8, 8p, 5 Color Photographs, 2 Charts
Autor:
Der-you Kao, Mark R. Pederson
Publikováno v:
Molecular Physics. 115:552-559
A new approach for formulating the self-interaction correction, referred to as the Fermi-Lowdin orbital-based self-interaction correction (FLO-SIC), is briefly reviewed and applied to the Fe(II)-po...
Autor:
Kai, Trepte, Sebastian, Schwalbe, Torsten, Hahn, Jens, Kortus, Der-You, Kao, Yoh, Yamamoto, Tunna, Baruah, Rajendra R, Zope, Kushantha P K, Withanage, Juan E, Peralta, Koblar A, Jackson
Publikováno v:
Journal of computational chemistry. 40(6)
We derived, implemented, and thoroughly tested the complete analytic expression for atomic forces, consisting of the Hellmann-Feynman term and the Pulay correction, for the Fermi-Löwdin orbital self-interaction correction (FLO-SIC) method. Analytic
Publikováno v:
Magnetochemistry, Vol 3, Iss 4, p 31 (2017)
Magnetochemistry; Volume 3; Issue 4; Pages: 31
Magnetochemistry; Volume 3; Issue 4; Pages: 31
Without self-interaction corrections or the use of hybrid functionals, approximations to the density-functional theory (DFT) often favor intermediate spin systems over high-spin systems. In this paper, we apply the recently proposed Fermi–Lowdin-or