瀏覽 的方式： 作者 Morokuma, Keiji
顯示 1 到 7 筆資料，總共 7 筆
| 公開日期 | 標題 | 作者 |
| 一月-2016 | Automatized Parameterization of the Density-functional Tight-binding Method. II. Two-center Integrals | Witek, Henryk A.; Chou, Chien-Pin; Mazur, Grzegorz; Nishimura, Yoshifumi; Irle, Stephan; Aradi, Balint; Frauenheim, Thomas; Morokuma, Keiji; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science |
| 1-一月-2016 | Automatized Parameterization of the Density-functional Tight-binding Method. II. Two-center Integrals | Witek, Henryk A.; Chou, Chien-Pin; Mazur, Grzegorz; Nishimura, Yoshifumi; Irle, Stephan; Aradi, Balint; Frauenheim, Thomas; Morokuma, Keiji; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science |
| 19-八月-2007 | COMP 105-Prediction of Raman spectra in novel polyyne@SWNT peapods using dispersion-augmented density-functional-tight-binding | Irle, Stephan; Witek, Henryk A.; Shinohara, Hisanori; Morokuma, Keiji; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science |
| 26-九月-2007 | Computational study of molecular properties of aggregates of C-60 and (16,0) zigzag nanotube | Witek, Henryk A.; Trzaskowski, Bartosz; Malolepza, Edyta; Morokuma, Keiji; Adamowicz, Ludwik; 應用化學系分子科學碩博班; Institute of Molecular science |
| 7-十二月-2006 | Modeling carbon nanostructures with the self-consistent charge density-functional tight-binding method: Vibrational spectra and electronic structure of C-28, C-60, and C-70 | Witek, Henryk A.; Irle, Stephan; Zheng, Guishan; de Jong, Wibe A.; Morokuma, Keiji; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science |
| 2013 | Quantum chemical investigation of epoxide and ether groups in graphene oxide and their vibrational spectra | Page, Alister J.; Chou, Chien-Pin; Pham, Buu Q.; Witek, Henryk A.; Irle, Stephan; Morokuma, Keiji; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science |
| 5-七月-2007 | Relativistic parametrization of the self-consistent-charge density-functional tight-binding method. 1. Atomic wave functions and energies | Witek, Henryk A.; Koehler, Christof; Frauenheim, Thomas; Morokuma, Keiji; Elstner, Marcus; 應用化學系分子科學碩博班; Institute of Molecular science |
