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Development and application of analysis technique of chemical bonds based on quantum chemical calculations

机译：基于量子化学计算的化学键分析技术的开发与应用

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制度:新 ; 報告番号:甲2709号 ; 学位の種類:博士(理学) ; 授与年月日:2008/12/11 ; 早大学位記番号:新4895

机译：系统：新；报告编号：No。2709；学位类型：博士学位（科学）；授予日期：2008/12/11；早稻田大学编号：New 4895

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菊池那明;
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年度 2008
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1. Development of accelerated quantum chemical calculation program and its application to silicon-based materials [J] . Seiichi Takami, ToshiYuki Yokosuka, Hitoshi Kurokawa, 電子情報通信学会技術研究報告. シリコン材料·デバイス. Silicon Devices and Materials . 2001,第350期

机译：加速量子化学计算程序的开发及其在硅基材料中的应用
2. Development of accelerated quantum chemical calculation program and its application to silicon-based materials [J] . Seiichi Takami, ToshiYuki Yokosuka, Hitoshi Kurokawa, 電子情報通信学会技術研究報告. シリコン材料·デバイス. Silicon Devices and Materials . 2001,第350期

机译：加速量子化学计算计划的发展及其在硅基材料的应用
3. Quantum chemical computations including intermolecular interactions, natural bond orbital analysis and scaled quantum mechanical force field calculations on bezafibrate-A cholesterol drug for HIV infected [J] . N.K.Chithra, C.James Vibrational Spectroscopy: An International Journal devoted to Applications of Infrared and Raman Spectroscopy . 2012,第Null期

机译：量子化学计算，包括分子间相互作用，天然键轨道分析和缩放量子机械力场计算对贝扎溴纤维 - 一种感染的胆固醇药物
4. Theoretical Consideration of Singlet Open-Shell Character of Polyperiacenes Using Clar's Aromatic Sextet Valence Bond Model and Quantum Chemical Calculations [C] . Akihiro Shimizu, Yasukazu Hirao, Takashi Kubo, International Conference of Computational Methods in Sciences and Engineering . 2014

机译：用Clar的芳香族六号价键合模型和量子化学计算，多萜酸单向突出壳特征的理论考虑
5. Development and Application of Chlorine Solid-State Nuclear Magnetic Resonance and Quantum Chemical Calculations to the Study of Organic and Inorganic Systems. [D] . Chapman, Rebecca. 2012

机译：氯固态核磁共振和量子化学计算在有机和无机系统研究中的发展和应用。
6. Hydrogen Atomic Positions of O–H···O Hydrogen Bonds in Solution and in the Solid State: The Synergy of Quantum Chemical Calculations with 1H-NMR Chemical Shifts and X-ray Diffraction Methods [O] . Michael G. Siskos, M. Iqbal Choudhary, Ioannis P. Gerothanassis 2017

机译：溶液和固态中O–H···O氢键的氢原子位置：量子化学计算与1H-NMR化学位移和X射线衍射方法的协同作用
7. Development and application of analysis technique of chemical bonds based on quantum chemical calculations [O] . 菊池那明 2008

机译：基于量子化学计算的化学键分析技术的开发与应用

Development and application of analysis technique of chemical bonds based on quantum chemical calculations

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