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2003年第1版以来直到2009年底的重要进展，都已纳入本书新版中。重要的概念（例如，分子力学、从头计算、半经验及密度泛函理论）都辅以其扼要的历史背景和顶尖科学家的人物介绍。计算化学基础理论构架的阐述都配以...
