Back to Search Start Over

The inversion potential of ammonia: An intrinsic reaction coordinate calculation for student investigation

Authors :
Halpern, Arthur M.
Ramachandran, B.R.
Glendening, Eric D.
Source :
Journal of Chemical Education. June, 2007, Vol. 84 Issue 6, p1067, 6 p.
Publication Year :
2007

Abstract

A report is presented to describe how students can be empowered to construct the full, double minimum inversion potential for ammonia by performing intrinsic reaction coordinate calculations. This work can be associated with the third year physical chemistry lecture laboratory or an upper level course in computational chemistry.

Details

Language :
English
ISSN :
00219584
Volume :
84
Issue :
6
Database :
Gale General OneFile
Journal :
Journal of Chemical Education
Publication Type :
Academic Journal
Accession number :
edsgcl.167635814