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J

Journal of Computer Chemistry-Japan

IF0.2
论文数7
被引数
期刊论文 7
发表时间
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A Web-Based User Interface for Efficient Construction and Editing of Slab Models for First-Principles Solid-State Calculations基于网络的用户界面，用于构建和编辑第一性原理固态计算中的薄板模型
deleteJournal of Computer Chemistry-Japan
IF0.2
delete2026-01-01
delete0
PREAI
deleteSekihara, Akifumi; Shiroishi, Hidenobu
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Analysis of the Reaction Mechanism of Neuropsin Based on Dynamic Structure Sampling: MD × QM/MM Approach基于动态结构采样的神经丝氨酸蛋白酶反应机理分析：MD × QM/MM方法
deleteJournal of Computer Chemistry-Japan
IF0.2
delete2026-01-01
delete0
PREAI
deleteFujiwara, Mai; Abe, Mitsumasa; Horioka, Yota; Fukunishi, Yoshifumi; Tamura, Hideki; Lintuluoto, Juha M.; Lintuluoto, Masami
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Electronic Analysis of Intermolecular Interactions in Hexose Crystals六碳糖晶体中分子间相互作用的电子分析
deleteJournal of Computer Chemistry-Japan
IF0.2
delete2026-01-01
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PREAI
deleteTakashita, Tomoko; Takata, Ryunosuke; Aoe, Mizuki; Takeshita, Kei; Ishii, Tomohiko
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Development status of ABINIT-MP in 2025ABINIT-MP在2025年的发展现状
deleteJournal of Computer Chemistry-Japan
IF0.2
delete2026-01-01
delete0
PREAI
deleteMochizuki, Yuji; Nakano, Tatsuya; Sakakura, Kota; Doi, Hideo; Okuwaki, Koji; Fukuzawa, Kaori; Kato, Toshihiro; Naruse, Akira; Hoshino, Tetsuya; Ohshima, Satoshi; Takizawa, Hiroyuki; Nakajima, Kengo; Katagiri, Takahiro
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Development of the Negative Fragmentation Approach for the Quantitative Quantum-Chemical Evaluation of Noncovalent Interactions开发负碎片化方法以对非共价相互作用进行定量量子化学评估
deleteJournal of Computer Chemistry-Japan
IF0.2
delete2026-01-01
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PREAI
deleteTakano, Yu; Kanematsu, Yusuke; Oda, Yuichiro; Kondo, Hiroko X.; Nakamura, Haruki
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Anisotropic Displacement Parameters of Ba2 in Clathrate Structure Ba8Ga16Ge30 from Molecular Dynamics Simulations钴笼状结构Ba8Ga16Ge30中Ba2的各向异性位移参数来自分子动力学模拟
deleteJournal of Computer Chemistry-Japan
IF0.2
delete2026-01-01
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PREAI
deleteHinuma, Yoyo
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First-Principles Study on the Structural Origin of the Complex Metallic Alloy Phase μ-Al4Mn Using a Single-Component Model基于单组分模型的μ-Al4Mn复杂金属合金相结构起源的第一性原理研究
deleteJournal of Computer Chemistry-Japan
IF0.2
delete2026-01-01
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PREAI
deleteMoriya, Yuki; Yeh, Jungwen; Uchida, Masaya
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