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"nishimura yoshifumi"的相關文件
顯示項目 1-10 / 10 (共1頁)
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| 國立交通大學 |
2019-04-03T06:38:21Z |
Infrared identification of the Criegee intermediates syn- and anti-CH3CHOO, and their distinct conformation-dependent reactivity
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Lin, Hui-Yu; Huang, Yu-Hsuan; Wang, Xiaohong; Bowman, Joel M.; Nishimura, Yoshifumi; Witek, Henryk A.; Lee, Yuan-Pern |
| 國立交通大學 |
2017-04-21T06:55:48Z |
Automatized Parameterization of DFTB Using Particle Swarm Optimization
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Chou, Chien-Pin; Nishimura, Yoshifumi; Fan, Chin-Chai; Mazur, Grzegorz; Irle, Stephan; Witek, Henryk A. |
| 國立交通大學 |
2017-04-21T06:55:48Z |
Automatized Parameterization of the Density-functional Tight-binding Method. II. Two-center Integrals
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Witek, Henryk A.; Chou, Chien-Pin; Mazur, Grzegorz; Nishimura, Yoshifumi; Irle, Stephan; Aradi, Balint; Frauenheim, Thomas; Morokuma, Keiji |
| 國立交通大學 |
2017-04-21T06:55:44Z |
Infrared absorption spectrum of the simplest deuterated Criegee intermediate CD2OO
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Huang, Yu-Hsuan; Nishimura, Yoshifumi; Witek, Henryk A.; Lee, Yuan-Pern |
| 國立交通大學 |
2016-03-28T00:04:27Z |
Automatized Parameterization of DFTB Using Particle Swarm Optimization
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Chou, Chien-Pin; Nishimura, Yoshifumi; Fan, Chin-Chai; Mazur, Grzegorz; Irle, Stephan; Witek, Henryk A. |
| 國立交通大學 |
2016-03-28T00:04:26Z |
Automatized Parameterization of the Density-functional Tight-binding Method. II. Two-center Integrals
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Witek, Henryk A.; Chou, Chien-Pin; Mazur, Grzegorz; Nishimura, Yoshifumi; Irle, Stephan; Aradi, Balint; Frauenheim, Thomas; Morokuma, Keiji |
| 國立交通大學 |
2014-12-08T15:36:56Z |
Mechanism of Back Electron Transfer in an Intermolecular Photoinduced Electron Transfer Reaction: Solvent as a Charge Mediator
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Narra, Sudhakar; Nishimura, Yoshifumi; Witek, Henryk A.; Shigeto, Shinsuke |
| 國立交通大學 |
2014-12-08T15:36:48Z |
Critical interpretation of CH- and OH- stretching regions for infrared spectra of methanol clusters (CH3OH)(n) (n=2-5) using self-consistent-charge density functional tight-binding molecular dynamics simulations
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Nishimura, Yoshifumi; Lee, Yuan-Pern; Irle, Stephan; Witek, Henryk A. |
| 國立交通大學 |
2014-12-08T15:36:04Z |
Theoretical study of cellobiose hydrolysis to glucose in ionic liquids
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Nishimura, Yoshifumi; Yokogawa, Daisuke; Irle, Stephan |
| 國立交通大學 |
2014-12-08T15:33:14Z |
Dramatic Reduction of IR Vibrational Cross Sections of Molecules Encapsulated in Carbon Nanotubes
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Kazachkin, Dmitry V.; Nishimura, Yoshifumi; Witek, Henryk A.; Irle, Stephan; Borguet, Eric |
顯示項目 1-10 / 10 (共1頁)
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