Geometry optimization in ab initio SCF calculations. VII. Proton affinities and ion structures calculated with floating orbital geometry optimization (FOGO)-Reference-Cited by-同舟云学术

Geometry optimization in ab initio SCF calculations. VII. Proton affinities and ion structures calculated with floating orbital geometry optimization (FOGO)

Published:1982-02 Issue:3 Volume:64 Page:399-411
ISSN:0301-0104
Container-title:Chemical Physics
language:en
Short-container-title:Chemical Physics

Author:

Huber Hanspeter,Vogt Jürgen

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference64 articles.

1. Geometry optimization inab initio SCF calculations

2. A molecular orbital study of protonation. Geometry and basis set dependence of computed proton affinities

3. Ab initio calculations;Čarsky,1980

4. Gas phase basicities and relative proton affinities of compounds between water and ammonia from pulsed ion cyclotron resonance thermal equilibriums measurements

5. The proton affinity of ammonia. A theoretical determination

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