Density Functional Theory Studies of Reaction Mechanisms and Kinetics of RuH+ with NH3 and H2O
碩士 === 中國文化大學 === 化學系應用化學碩士班 === 105 === The reaction mechanisms of the RuH+ with the NH3 and H2O molecules have been investigated by the density functional theory in conjunction with B3LYP/6-311++G(3df,2p) method. The species involved Ru metal will be optimized by additional SDD basis set in the wh...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Others |
| Language: | zh-TW |
| Published: |
2017
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| Online Access: | http://ndltd.ncl.edu.tw/handle/b7x3jh |