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An ab Initio Study of Tetrathiosquaric Acid
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作者 HUANG Zun-Xing ZHOU Li-Xin +1 位作者 tian an-minzhang yong-fan LI Jun-Qian(Department of Chemistry, Fuzhou University, Fuzhou, 350002)(State Key boory of Structural Chemistry, Fuzhou, Fujian 350002)(Department of Chemistry,Sichuan University, Chengdu, 610064) 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 1997年第5期407-412,共6页
Results of ab initio SCF calculations of tetrathiosquaric acid (3, 4-dithiohydroxy-3-cyclobuten-1, 2-dithione) are reported. The ZZ isomer is found to bethe most stable among the three isomers. An isodesmic energy ana... Results of ab initio SCF calculations of tetrathiosquaric acid (3, 4-dithiohydroxy-3-cyclobuten-1, 2-dithione) are reported. The ZZ isomer is found to bethe most stable among the three isomers. An isodesmic energy analysis has been carriedout at the HF 6-31G 展开更多
关键词 ab initio tetrathiosquaric acid isodesmic reaction procedure Vibrational frequency
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