首页> 外文OA文献 >Comparison of STO-3G and 3-21G ab initio harmonic force fields for ethane, propane, dimethyl ether, and cyclobutane: effects of geometry and scaling on calculated frequencies, eigenvectors, and infrared absorption intensities

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Comparison of STO-3G and 3-21G ab initio harmonic force fields for ethane, propane, dimethyl ether, and cyclobutane: effects of geometry and scaling on calculated frequencies, eigenvectors, and infrared absorption intensities

机译：STO-3G和3-21G AB Initio谐波力场的比较乙烷，丙烷，二甲醚和环丁烷：几何形状和缩放对计算频率，特征向量和红外吸收强度的影响

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R. Anthony Shaw; Charles Ursenbach; Arvi Rauk; Hal Wieser;
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机译：AB Initio测定二氯甲烷的力场，通过气相红外频率和强度验证并应用于几何形状的组合电子衍射和微波调查
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Comparison of STO-3G and 3-21G ab initio harmonic force fields for ethane, propane, dimethyl ether, and cyclobutane: effects of geometry and scaling on calculated frequencies, eigenvectors, and infrared absorption intensities

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