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Coming to grips with N-H..N bonds. 2. Homocorrelations between parameters deriving from the electron density at the bond critical point
- Source :
- Journal of Physical Chemistry A. Jan 16, 2003, Vol. 107 Issue 2, p272, 13 p.
- Publication Year :
- 2003
-
Abstract
- The equilibrium geometries at 54 small molecules containing linear or near-linear N-H..N bonds (sample M) are optimized at the MP2/6-31G(d,p) level and the values of p' and p' of the parameters p(sub c) at the bond-critical points(p' in the N-H, p' in the H..N bond) are compounded from the results of the optimizations.
Details
- Language :
- English
- ISSN :
- 10895639
- Volume :
- 107
- Issue :
- 2
- Database :
- Gale General OneFile
- Journal :
- Journal of Physical Chemistry A
- Publication Type :
- Academic Journal
- Accession number :
- edsgcl.125034309