Molecular quadrupole moments, magnetizability, nuclear magnetic shielding and spin-rotation tensors of CO2, OCS and CS2
- 1 November 1978
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 36 (5) , 1517-1527
- https://doi.org/10.1080/00268977800102541
Abstract
Ab initio calculations have been made of molecular quadrupole moments, the diamagnetic part of the magnetizability and nuclear shielding tensors, and electric field gradients in CO2, OCS and CS2. By combining these calculated properties with experimental data, a full analysis of the magnetizability and nuclear magnetic shielding tensors has been obtained for these molecules.Keywords
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