Electric field gradients and Sternheimer-type properties of the BrCl molecule: correlated, relativistic, ab initio calculations and modelling of nuclear quadrupole coupling constants in complexes B ⋯ BrCl-Reference-Cited by-同舟云学术

Electric field gradients and Sternheimer-type properties of the BrCl molecule: correlated, relativistic, ab initio calculations and modelling of nuclear quadrupole coupling constants in complexes B ⋯ BrCl

Published:1996-07 Issue:3-4 Volume:257 Page:249-256
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Fowler P.W.,Peebles S.A.,Legon A.C.,Sadlej A.J.

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference31 articles.

1. Sternheimer shielding in molecules

2. The theory of sternheimer shielding in molecules in external fields

3. P.W. Fowler, S.A. Peebles, A.C. Legon, Mol. Phys, in press.

4. Rotational spectrum of the gas-phase dimer OC⋯BrCl

5. Intermediates in the gas-phase reactions of acetylene and halogens: the identification of the acetylene–BrCl complex by rotational spectroscopy

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