Explicitly correlated coupled cluster calculations of the dissociation energies and barriers to concerted hydrogen exchange of (HF)n oligomers (n=2,3,4,5)-Reference-Cited by-同舟云学术

Explicitly correlated coupled cluster calculations of the dissociation energies and barriers to concerted hydrogen exchange of (HF)n oligomers (n=2,3,4,5)

Published:1998-05-01 Issue:1 Volume:94 Page:105-119
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

KLOPPER WIM,QUACK MARTIN,SUHM MARTIN A.

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

https://www.tandfonline.com/doi/pdf/10.1080/002689798168394

Reference65 articles.

1. Quack , M. and Suhm , M. A. 1997. Conceptual Perspectives in Quantum Chemistry, Conceptual Trends in Quantum Chemistry, Edited by: Calais , J.L. and Kryachko , E. S. Vol. III, 415–463. Dordrecht: Kluwer.

2. Vibrational spectra of (HF)2, (HF)n and their D-isotopomers: Mode selective rearrangements and nonstatistical unimolecular decay

3. Potential energy surfaces, quasiadiabatic channels, rovibrational spectra, and intramolecular dynamics of (HF)2 and its isotopomers from quantum Monte Carlo calculations

4. A critical analysis of electronic density functionals for structural, energetic, dynamic, and magnetic properties of hydrogen fluoride clusters

5. A new ab initio based six-dimensional semi-empirical pair interaction potential for HF

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