introduction to computational chemistry

計算化学 / 原タイトル:INTRODUCTION TO COMPUTATIONAL CHEMISTRY 原著第3版の翻訳 本/雑誌 / フランク ジェンセン/著 後藤仁志/監訳 立川仁典/監訳 長嶋雲兵/監訳 五十幡康弘/〔ほか〕共訳Computational Chemistry Introduction to the Theory and Applications of Molecular and Quantum Mechanics【電子書籍】 Errol G. LewarsIntroduction to Computational Chemistry【電子書籍】 Frank JensenComputational Chemistry Introduction to the Theory and Applications of Molecular and Quantum Mechanics【電子書籍】 Errol G. Lewars
 

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  • ご注文前に必ずご確認ください<商品説明>世界的名著、待望の翻訳。統一した視座で多岐にわたる手法を解説した、唯一無二の書。学生や研究者のリファレンスに最適。<収録内容>序論力場法Hartree‐Fock理論電子相関法基底関数系密度汎関数法半経験的方法原子価結合理論相対論的方法波動関数解析分子特性概念の例示最適化技法統計力学と遷移状態理論シミュレーション技法定性的理論数学的方法統計とQSARおわりに<アーティスト/キャスト>フランク・ジェンセン(演奏者)<商品詳細>商品番号:NEOBK-2843979Frank Jien Sen / Cho Goto Hitoshi / Kanyaku Tachikawa Hitoshi Nori / Kanyaku Nagashima Kumo Hei / Kanyaku Go Ju Hata Yasuhiro / [Hoka] Tomo Yaku / Keisan Kagaku / Original Title: INTRODUCTION to COMPUTATIONAL CHEMISTRY Gencho Dai3 Han No Honyakuメディア:本/雑誌重量:500g発売日:2023/03JAN:9784627242333計算化学 / 原タイトル:INTRODUCTION TO COMPUTATIONAL CHEMISTRY 原著第3版の翻訳[本/雑誌] / フランク・ジェンセン/著 後藤仁志/監訳 立川仁典/監訳 長嶋雲兵/監訳 五十幡康弘/〔ほか〕共訳2023/03発売
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  • <p>This corrected second edition contains new material which includes solvent effects, the treatment of singlet diradicals, and the fundamentals of computaional chemistry.</p> <p>"Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics" is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons of different methods with one another and with experiment.</p> <p>The following concepts are illustrated and their possibilities and limitations are given:</p> <p>- potential energy surfaces;<br /> - simple and extended Hueckel methods;<br /> - ab initio, AM1 and related semiempirical methods;<br /> - density functional theory (DFT).</p> <p>Topics are placed in a historical context, adding interest to them and removing much of their apparently arbitrary aspec...
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  • <p>Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics:</p> <ul> <li>Polarizable force fields</li> <li>Tight-binding DFT</li> <li>More extensive DFT functionals, excited states and time dependent molecular properties</li> <li>Accelerated Molecular Dynamics methods</li> <li>Tensor decomposition methods</li> <li>Cluster analysis</li> <li>Reduced scaling and reduced prefactor methods</li> </ul> <p>Additional information is available at: <a href="www.wiley.com/go/jensen/computationalchemistry3">www.wiley.com/go/jensen/computationalchemistry3</a></p>画面が切り替わりますので、しばらくお待ち下さい。 ※ご購入は、楽天kobo商品ページ...
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  • <p>This is the third edition of the successful text-reference book that covers computational chemistry. It features changes to the presentation of key concepts and includes revised and new material with several expanded exercises at various levels such as 'harder questions' for those ready to be tested in greater depth - this aspect is absent from other textbooks in the field. Although introductory and assuming no prior knowledge of computational chemistry, it covers the essential aspects of the subject. There are several introductory textbooks on computational chemistry; this one is (as in its previous editions) a unique textbook in the field with copious exercises (and questions) and solutions with discussions. Noteworthy is the fact that it is the only book at the introductory level that shows in detail yet clearly how matrices are used in one important aspect of computational chemistry. It also serves as an essential guide for researchers, and as a reference book.</p>画面が...
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