Detail of "13814-25-0"

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Structure and potential energy functions of SF,F2 and SF2: Structure and potential energy functions of SF,F2 and SF2. Geng, Zhen-duo; Cu, Wan-min; Fan, Xiao-wei (College of Physics & Information Engineering, Henan Normal University, Xinxiang 453007, Peop. Rep. China). Henan Shifan Daxue Xuebao, Ziran Kexueban, 33(1), 37-40 (Chinese) 2005 Henan Shifan Daxue Xuebao Bianjibu. CODEN: HESKER. ISSN: 1000-2367. DOCUMENT TYPE: Journal CA Section: 65 (General Physical Chemistry) By using the QCISD method with the basis sets of 6-311+G(2df, 2pd) and 6-311+G(p, d), the theor. calcns. were carried on the mols. of SF2, SF and F2. The structure parameters, energies, harmonic frequencies and force consts. were obtained, and the calcns. are in good agreement with the exptl. results. Based on these calcns., the potential curves of SF and F2 were obtained by using the Murrell-Sorbi potential energy function, the data of optical spectrum and force consts. were also deducted. The anal. potential energy function of SF2 has also been derived based on the many-body expansion theory. The structure characters and the changes of energy were reflected correctly by this function.There are some reagents like 13814-25-0 is used in this study. .