A MECHANISTIC DFT INVESTIGATION OF KETENE AND SILYLKETENE FORMATION FROM CORRESPONDING 1- ALKYNYL ETHERS
Author: J. Tyagi, R. Mishra and S. K. Mishra
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Keywords: NBO Analysis, B3LYP, Ethoxyacetylene, Ethoxy(Silyl)Acetylene, Transition State, Thermolysis, Intrinsic Reaction Coordinate (IRC)