2017
DOI: 10.1017/s1743921317008110 View full text |Buy / Rent full text
|
|

Abstract: In this work, one intends to computationally simulate and investigate, via thermochemical calculations, how the chemical environment influences some molecular properties, such as IR spectra and absorption cross section, of individual species embedded in the solid phase employing the Polarized Continuum Model (PCM) approach. The trial molecules used here to check these effects are CO, CO2 and H2O. The solid phase (bulk ice) is simulated using different dielectric constant values representing different types of … Show more

Help me understand this page

Search citation statements

Order By: Relevance
0
0
0
0
0
1
3
0

Publication Types

Select...

Relationship

0
0

Authors

Journals