A three-dimensional potential energy surface for He+Cl2 (B 3Π0u+): Ab initio calculations and a multiproperty fit-Reference-Cited by-同舟云学术

A three-dimensional potential energy surface for He+Cl2 (B 3Π0u+): Ab initio calculations and a multiproperty fit

Published:1999-07-15 Issue:3 Volume:111 Page:997-1007
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Williams Jason,Rohrbacher Andreas,Seong Jeonghee,Marianayagam Neelan,Janda Kenneth C.,Burcl Rudolf,Szcześniak M. M.,Chałasiński Grzegorz,Cybulski Sławomir M.,Halberstadt Nadine

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.479190

Reference34 articles.

1. Ab initio calculations of the interaction of He with the B 3Π0u+ state of Cl2 as a function of the Cl2 internuclear separation

2. Contributions of the two conformers to the microwave spectrum and scattering cross-section of the He–Cl2 van der Waals system, evaluated from an ab initio potential energy surface

3. Are rare-gas Cl2van der Waals molecules linear or T-shaped ?

4. Differential Scattering Cross Sections for HeCl2, NeCl2, and ArCl2: Multiproperty Fits of the Potential Energy Surfaces

5. A study of the ArCl2 Van der Waals complex: Ab initio-based potential energy surfaces, the relative stability of conformers, and the “hidden” microwave spectrum

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