Author/Creator: Taketsugu, Tetsuya - British Library Electronic Legal Deposit Catalogue-Journal Issues and Articles Search Results

Author/Creator Taketsugu, Tetsuya

1. A quantum chemical study of substituent effects on CN bonds in aryl isocyanide molecules adsorbed on the Pt surface. Issue 21 (19th May 2020)

Authors:: Wang, Ben; Gao, Min; Uosaki, Kohei; Taketsugu, Tetsuya
Journal:: Physical chemistry chemical physics
Issue:: Volume 22:Issue 21(2020)
Page Start:: 12200
Record Type:: Journal Article
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2. Ab initio surface hopping excited‐state molecular dynamics approach on the basis of spin–orbit coupled states: An application to the A‐band photodissociation of CH3I. Issue 2 (19th November 2018)

Authors:: Kamiya, Muneaki; Taketsugu, Tetsuya
Other Names:: Bowman Joel guestEditor.; Hirao Kimihiko guestEditor.; Musaev Jamal guestEditor.; Nakatsuji Hiroshi guestEditor.; Sakaki Shigeyoshi guestEditor.
Journal:: Journal of computational chemistry
Issue:: Volume 40:Issue 2(2019)
Page Start:: 456
Record Type:: Journal Article
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3. Additive‐dependent iptycene incorporation in polyanilines: Insights into the pentiptycene clipping effect and the polymerization mechanism. Issue 9 (5th August 2019)

Authors:: Tan, Wei Shyang; Lee, Ting‐Yin; Tseng, Sheng‐Fang; Hsu, Ying‐Feng; Ebina, Masanori; Taketsugu, Tetsuya; Huang, Shing‐Jong; Yang, Jye‐Shane
Journal:: Journal of the Chinese Chemical Society
Issue:: Volume 66:Issue 9(2019)
Page Start:: 1141
Record Type:: Journal Article
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4. All-electron relativistic spin–orbit multireference computation to elucidate the ground state of CeH. Issue 46 (23rd November 2020)

Authors:: Kondo, Yusuke; Goto, Yuri; Kobayashi, Masato; Akama, Tomoko; Noro, Takeshi; Taketsugu, Tetsuya
Journal:: Physical chemistry chemical physics
Issue:: Volume 22:Issue 46(2020)
Page Start:: 27157
Record Type:: Journal Article
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5. All‐electron relativistic computations on the low‐lying electronic states, bond length, and vibrational frequency of CeF diatomic molecule with spin–orbit coupling effects. Issue 16 (30th January 2018)

Authors:: Kondo, Yusuke; Kobayashi, Masato; Akama, Tomoko; Noro, Takeshi; Taketsugu, Tetsuya
Journal:: Journal of computational chemistry
Issue:: Volume 39:Issue 16(2018)
Page Start:: 964
Record Type:: Journal Article
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6. An autocatalytic cycle in autoxidation of triethylborane. Issue 53 (5th May 2017)

Authors:: Uematsu, Ryohei; Saka, Chihiro; Sumiya, Yosuke; Ichino, Tomoya; Taketsugu, Tetsuya; Maeda, Satoshi
Journal:: Chemical communications
Issue:: Volume 53:Issue 53(2017)
Page Start:: 7302
Record Type:: Journal Article
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7. Analyses of trajectory on-the-fly based on the global reaction route map. Issue 3 (20th December 2017)

Authors:: Tsutsumi, Takuro; Harabuchi, Yu; Ono, Yuriko; Maeda, Satoshi; Taketsugu, Tetsuya
Journal:: Physical chemistry chemical physics
Issue:: Volume 20:Issue 3(2017)
Page Start:: 1364
Record Type:: Journal Article
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8. Artificial Force Induced Reaction (AFIR) Method for Exploring Quantum Chemical Potential Energy Surfaces. Issue 5 (3rd June 2016)

Authors:: Maeda, Satoshi; Harabuchi, Yu; Takagi, Makito; Taketsugu, Tetsuya; Morokuma, Keiji
Journal:: Chemical record
Issue:: Volume 16:Issue 5(2016)
Page Start:: 2232
Record Type:: Journal Article
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9. Atomically Thin Hexagonal Boron Nitride Nanofilm for Cu Protection: The Importance of Film Perfection. Issue 4 (22nd November 2016)

Authors:: Khan, Majharul Haque; Jamali, Sina S.; Lyalin, Andrey; Molino, Paul J.; Jiang, Lei; Liu, Hua Kun; Taketsugu, Tetsuya; Huang, Zhenguo
Journal:: Advanced materials
Issue:: Volume 29:Issue 4(2017)
Page Start:: n/a
Record Type:: Journal Article
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10. Automated error control in divide‐and‐conquer self‐consistent field calculations. Issue 15 (5th February 2018)

Authors:: Kobayashi, Masato; Fujimori, Toshikazu; Taketsugu, Tetsuya
Journal:: Journal of computational chemistry
Issue:: Volume 39:Issue 15(2018)
Page Start:: 909
Record Type:: Journal Article
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