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Showing items 51-60 of 80  (8 Page(s) Totally)
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Institution Date Title Author
國立交通大學 2014-12-08T15:34:24Z DFTB Parameters for the Periodic Table: Part 1, Electronic Structure Wahiduzzaman, Mohammad; Oliveira, Augusto F.; Philipsen, Pier; Zhechkov, Lyuben; van Lenthe, Erik; Witek, Henryk A.; Heine, Thomas
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 2014-12-08T15:30:15Z Infrared Absorption Spectrum of the Simplest Criegee Intermediate CH2OO Su, Yu-Te; Huang, Yu-Hsuan; Witek, Henryk A.; Lee, Yuan-Pern
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 2014-12-08T15:28:33Z Choice of Optimal Shift Parameter for the Intruder State Removal Techniques in Multireference Perturbation Theory Chang, Shu-Wei; Witek, Henryk A.
國立交通大學 2014-12-08T15:23:58Z An Algorithm and FORTRAN Program for Automatic Computation of the Zhang-Zhang Polynomial of Benzenoids Chou, Chien-Pin; Witek, Henryk A.
國立交通大學 2014-12-08T15:23:58Z Zhang-Zhang Polynomials of Various Classes of Benzenoid Systems Chou, Chien-Pin; Li, Yenting; Witek, Henryk A.
國立交通大學 2014-12-08T15:23:43Z Comment on "Zhang-Zhang polynomials of cyclo-polyphenacenes" by Q. Guo, H. Deng, and D. Chen Chou, Chien-Pin; Witek, Henryk A.
國立交通大學 2014-12-08T15:22:23Z Is Our Way of Thinking about Excited States Correct? Time-Resolved Dispersive IR Study on p-Nitroaniline Narra, Sudhakar; Chang, Shu-Wei; Witek, Henryk A.; Shigeto, Shinsuke
國立交通大學 2014-12-08T15:22:04Z Evolution of physical properties of conjugated systems Li, Wun-Fan; Andrzejak, Marcin; Witek, Henryk A.

Showing items 51-60 of 80  (8 Page(s) Totally)
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