Naofumi Nakayama, Masahiro Hijikata, Hitomi Ohmagari, Hideyuki Tanaka, Yudai Inazuka, Daisuke Saito, Shigeaki Obata, Kazuo Ohta, Masako Kato, Hitoshi Goto, et al. Computational Studies for Crystal Structures of Helicate Lanthanide Complexes Based on X-ray Analyses. Bulletin of the Chemical Society of Japan. 2021. 94. 12. 2973-2981
Yohei UTSUMI, Daiki UMEDA, Koji OKUWAKI, Shigeaki OBATA, Naofumi NAKAYAMA, Hitoshi GOTO, Takayuki FURUISHI, Kaori FUKUZAWA, Etsuo YONEMOCHI. Improving the Accuracy of Crystal Structure Prediction Using FMO Crystal Energy: An Example of Target XXIII. Journal of Computer Chemistry, Japan. 2021. 20. 3. 92-93
Shigeaki OBATA, Naofumi NAKAYAMA, Hitoshi GOTO. Crystal Structure Prediction; From the Present to the Future. Nihon Kessho Gakkaishi. 2020. 62. 4. 260-268
Hiroyuki Ishii, Shigeaki Obata, Naoyuki Niitsu, Shun Watanabe, Hitoshi Goto, Kenji Hirose, Nobuhiko Kobayashi, Toshihiro Okamoto, Jun Takeya. Charge mobility calculation of organic semiconductors without use of experimental single-crystal data. SCIENTIFIC REPORTS. 2020. 10. 1
Shigeaki Obata, Mitsuaki Sato, Hitoshi Goto. Theoretical crystal structure prediction for organic molecules. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 2014. 248
Shigeaki Obata, Hitoshi Goto. Potential energy profile of polymorphic transformation in aspirin crystal. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 2012. 243