2002 - 2007 Theoretical Study on the Protein Folding
2007 - 分子内プロトン移動反応に関する理論的研究
2001 - 2006 抗不安薬の理論的研究
2001 - 2006 Theoretical Study on Minor Tranquilizer
2001 - 高次元アルゴリズムによる分子構造最適化
一次元高分子の非経験的結晶軌道計算
Non-empirical crystal orbital calculations on one-dimensional polymers
Toward durg design by Hamiltonian algorithm
全件表示
論文 (108件):
Shin-ichi Nagaoka, Yoshinori Yamasaki, Hiroyuki Teramae, Umpei Nagashima, Tatsunobu Kokubo. Addition to “Practical Training in Simple Hückel Theory: Matrix Diagonalization via Tridiagonalization, Cyclobutadiene, and Visualization of Molecular Orbitals”. Journal of Chemical Education. 2020. 97. 8. 2373-2374
Chika Nanzan, Yorimasa Takazawa, Mitsuaki Suzuki, Hiroyuki Teramae, Tomomi Sakata. Luminescent properties of a polymeric copper(I)-bromide complex in a PMMA film. Japanese Journal of Applied Physics. 2020. 59. 7. 077001
Shin ichi Nagaoka, Naofumi Nakayama, Hiroyuki Teramae, Umpei Nagashima. Correlations of computational ionization energy with experimental oxidation potential and with antioxidant efficiencies in catechins. Chemical Physics. 2019. 522. 77-83
Hiroyuki Teramae, Yuriko Aoki. Ab initio electronic structure calculation of polymononucleotide, a model of B-type DNA. AIP Conference Proceedings. 2018. 2040
Hiroyuki Teramae, Yasuko Y. Maruo. Theoretical study on the reaction mechanism of formation of FLUORAL-P and lutidine derivatives. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 2012. 243