116件の論文が見つかりました。論文は出版年月日順に表示しています。(ヘルプ) | |
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Tomoki Kobori, Keitaro Sodeyama, Takao Otsuka, Yoshitaka Tateyama, Shinji Tsuneyuki. Trimer effects in fragment molecular orbital-linear combination of molecular orbitals calculation of one-electron orbitals for biomolecules. The Journal of Chemical Physics. 139 [9] (2013) 094113 10.1063/1.4818599 | |
A. Slimani, K. Boukheddaden, F. Varret, M. Nishino, S. Miyashita. Properties of the low-spin high-spin interface during the relaxation of spin-crossover materials, investigated through an electro-elastic model. The Journal of Chemical Physics. 139 [19] (2013) 194706 10.1063/1.4829462 | |
Hongmei Liu, Hisashi Kondo, Takahisa Ohno. Effect of contact area on electron transport through graphene-metal interface. The Journal of Chemical Physics. 139 [7] (2013) 074703 10.1063/1.4818519 | |
Takehiko Tanaka, Hisako Hirai, Takahiro Matsuoka, Yasuo Ohishi, Takehiko Yagi, Michika Ohtake, Yoshitaka Yamamoto, Satoshi Nakano, Tetsuo Irifune. Phase changes of filled ice Ih methane hydrate under low temperature and high pressure. The Journal of Chemical Physics. 139 [10] (2013) 104701 10.1063/1.4820358 | |
Ayako Nakata, Takao Tsuneda. Density functional theory for comprehensive orbital energy calculations. The Journal of Chemical Physics. 139 [6] (2013) 064102 10.1063/1.4817404 | |
An-Pang Tsai, Tomofumi Kimura, Yukinori Suzuki, Satoshi Kameoka, Masahiko Shimoda, Yasushi Ishii. Effect of electronic structures on catalytic properties of CuNi alloy and Pd in MeOH-related reactions. The Journal of Chemical Physics. 138 [14] (2013) 144701 10.1063/1.4798932 | |
Yoshiharu Suzuki, Osamu Mishima. Sudden switchover between the polyamorphic phase separation and the glass-to-liquid transition in glassy LiCl aqueous solutions. The Journal of Chemical Physics. 138 [8] (2013) 084507 10.1063/1.4792498 | |
G. Nishijima, H. Kitaguchi, Y. Tshuchiya, T. Nishimura, T. Kato. Transport critical current measurement apparatus using liquid nitrogen cooled high-Tc superconducting magnet with variable temperature insert. Review of Scientific Instruments. 84 [1] (2013) 015113 10.1063/1.4776185 | |
D. F. He, Y. Z. Zhang, M. Shiwa, S. Moriya. Development of eddy current testing system for inspection of combustion chambers of liquid rocket engines. Review of Scientific Instruments. 84 [1] (2013) 014701 10.1063/1.4773539 | |
Yoshimichi Andoh, Kimiko Oono, Susumu Okazaki, Ichiro Hatta. A molecular dynamics study of the lateral free energy profile of a pair of cholesterol molecules as a function of their distance in phospholipid bilayers. The Journal of Chemical Physics. 136 [15] (2012) 155104 10.1063/1.4704740 | |