Proton transfer in ammonia cluster cations: molecular dynamics in a self consistent field

Zeitschrift für Physik D Atoms, Molecules and Clusters

Volumn 18, Issue 4, 1991, Pages 413-426

  Greer, J C ^a   Ahlrichs, R ^b   Hertel, I V ^a  

^a UNIVERSITY OF FREIBURG   (Germany)

^b UNIVERSITY OF KARLSRUHE   (Germany)

Author keywords

36.40 + d; 82.20.Kh; 82.30.Nr

Indexed keywords

EID: 0001664528     PISSN: 01787683     EISSN: 14346079     Source Type: Journal    
DOI: 10.1007/BF01426607     Document Type: Article

References (54)

1. Gas‐phase solvation of the ammonium ion in ammonia
2. The potential energy surface of (NH3)2
3. Intermolecular potentials for ammonia based on the test particle model and the coupled pair functional method
4. Basis set and correlation effects on computed hydrogen bond energies of the dimers (AHn)2: AHn=NH3, OH2, and FH
5. Improvements on the direct SCF method
6. Equation of State Calculations by Fast Computing Machines
7. The Electronic Absorption Spectra of NHFormula and NDFormula
8. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
9. Analysis of vibrational structure and Jahn-Teller effects in the electron spectrum of ammonia
10. Inhomogeneous Electron Gas
11. Self-Consistent Equations Including Exchange and Correlation Effects