Computational studies on the gas phase reaction of methylenimine (CH2NH) with water molecules
Abstract In this work, we used quantum chemical methods and chemical kinetic models to answer the question of whether or not formaldehyde (CH2O) and ammonia (NH3) can be produced from gas phase hydration of methylenimine (CH2NH). The potential energy surfaces (PESs) of CH2NH + H2O → CH2O + NH3 and C...
| Main Author: | |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2020-07-01
|
| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-020-67515-3 |