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Xian-Yang Chen, Yixin Zhao, Shuguang Wang,
... Then it crosses t-TS3 to produce t-ORuCO molecule. The relativistic effects are important for reactivity ... Ru(CO)O via t-TS3 to t-ORuCO, relativistic effects reduce the barrier energy by 10. ...
Tópico(s): CO2 Reduction Techniques and Catalysts
2006 - American Chemical Society | The Journal of Physical Chemistry A