Article ID Journal Published Year Pages File Type
5393547 Computational and Theoretical Chemistry 2014 28 Pages PDF
Abstract

- The dominant products are HNCO and CH2OH for the reaction without and with water.
- The initial water complexation step is essential in the pseudo-second-order kinetics.
- A single water molecule does not accelerate the reaction rate.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Kinetics and mechanism of the water-assisted reaction of NCO with CH3OH: A quantum chemical study
Authors
, ,