Powered by OpenAIRE graph
Found an issue? Give us feedback
image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Chemical Physicsarrow_drop_down
image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
Chemical Physics
Article . 2007 . Peer-reviewed
License: Elsevier TDM
Data sources: Crossref
versions View all 1 versions
addClaim

H–N2 inelastic collision dynamics on new potential energy surface

Authors: T. Stoecklin; A. Voronin;

H–N2 inelastic collision dynamics on new potential energy surface

Abstract

Abstract A quantum mechanical investigation of the inelastic collision of 14N2(ν = 1, j) with H atoms is presented. Ab initio potential energy calculations are carried out at MRCI level and a new global 3D potential energy surface describing the unimolecular dissociation of H–N2 is obtained by fitting ab initio points within the Reproducing Kernel Hilbert Space (RKHS) method. This surface describes both the well associated with the H–N2 unstable molecule and the shallow well associated with the Van der Waals complex as well as the long range part of the surface. Close Coupling scattering calculations are performed at collision energy ranging from 10−6 to 10,000 cm−1. In the cold and ultra cold regime the vibrational and rotational deactivation cross section of N2 in collision with H is considered and compared with the previously studied He–N2 inelastic collision. At higher energy the resonances associated with the vibrational level of the H–N2 complex are calculated and their width used to give estimate of the corresponding lifetimes.

Related Organizations
  • BIP!
    Impact byBIP!
    selected citations
    These citations are derived from selected sources.
    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    16
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    Average
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    Top 10%
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    Top 10%
Powered by OpenAIRE graph
Found an issue? Give us feedback
selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
16
Average
Top 10%
Top 10%
Related to Research communities
Upload OA version
Are you the author of this publication? Upload your Open Access version to Zenodo!
It’s fast and easy, just two clicks!