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臺灣學術機構典藏系統 (Taiwan Academic Institutional Repository, TAIR)
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Institution Date Title Author
國立交通大學 2014-12-08T15:33:14Z Dramatic Reduction of IR Vibrational Cross Sections of Molecules Encapsulated in Carbon Nanotubes Kazachkin, Dmitry V.; Nishimura, Yoshifumi; Witek, Henryk A.; Irle, Stephan; Borguet, Eric
國立交通大學 2014-12-08T15:29:35Z 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
國立交通大學 2014-12-08T15:15:13Z 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
國立交通大學 2014-12-08T15:13:38Z Comparison of geometric, electronic, and vibrational properties for isomers of small fullerenes C-20-C-36 Malolepsza, Edyta; Witek, Henryk A.; Irle, Stephan
國立交通大學 2014-12-08T15:13:30Z 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
國立交通大學 2014-12-08T15:08:59Z Comparison of Geometric, Electronic, and Vibrational Properties for All Pentagon/Hexagon-Bearing Isomers of Fullerenes C(38), C(40), and C(42) Malolepsza, Edyta; Lee, Yuan-Pern; Witek, Henryk A.; Irle, Stephan; Lin, Chun-Fu; Hsieh, Horng-Ming

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