Adsorption of Ethylxanthate Ion, Hydroxyl Ion, Water, Oxygen, and Ethylxanthate Pair on Chalcopyrite Studied by the Molecular Orbital Method
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چکیده
منابع مشابه
Conformations of Pyrrolidinium Ion Studied by Molecular Orbital Calculations
Ab initio HF/6-3 lG(d. p) and density functional theory B3LYP/6-31G (d, p) calculations were carried out to investigate the conformations of pyrrolidinium ion. Two conformations, corresponding to twisted (C2) and envelope (Cs) forms were optimized. Vibrational analysis showed that the twisted form is at a local minimum point and the envelope form at a saddle point. The energy difference between...
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ژورنال
عنوان ژورنال: Journal of the Mining and Metallurgical Institute of Japan
سال: 1983
ISSN: 0369-4194,2185-6729
DOI: 10.2473/shigentosozai1953.99.1150_1049