Significant biological applications of quantum chemistry are on the increase.

量子化学的重要生物学应用正在不断增加.

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The hydrogenlike atom is the single most important system in quantum chemistry.

类氢原子在量子化学中是独特的而最重要的体系.

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Application of quantum mechanics to atomic structure, molecular bonding, and spectroscopy gives us quantum chemistry.

将量子力学应用于原子结构, 分子键及光谱学即形成量子化学.

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This text is designed as a practical introduction to quantum chemistry.

这份正文被设计为实际的量子化学的介绍.

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Quantum chemistry methods and molecular modeling technology are the main branches of the computational chemistry.

量子化学方法和分子模拟是计算化学的主要分支.

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The absorption spectrum by using CIS method of quantum chemistry calculation agrees with the experimental spectrum.

用量化计算中的CIS方法所得的吸收谱理论值与实验值吻合较好.

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This qualitative approach to molecular orbital theory represents the dawn of modern quantum chemistry.

这种分子轨道定性的方法可谓是量子化学的曙光.

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In the paper the electronic structures of the template molecules are discussed through quantum chemistry calculation.

同时采用量子化学的方法对活性构象模板分子电子结构作了讨论.

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Prof. Jin Songshou is a famous chemist for quantum chemistry and chemical kinetics.

金松寿教授是著名的量子化学及化学动力学专家.

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Quantum chemistry method is used to study the reactivity of the methanol dehydration.

用量子化学方法,研究甲醇脱水的反应性.

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