Theoretical studies of the CO2–N2O van der Waals complex : Ab initio potential energy surface, intermolecular vibrations, and rotational transition frequencies

Theoretical studies of the potential energy surface and bound states were performed for the CO2–N2O van der Waals complex. A four-dimensional intermolecular potential energy surface (PES) was constructed from 11 466 ab initio data points which were calculated at the coupled-cluster single double (tr...

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Bibliographic Details
Main Authors: Yang, Minghui, Zheng, Limin, Lee, Soo-Ying, Lu, Yunpeng
Other Authors: School of Physical and Mathematical Sciences
Format: Journal Article
Language:English
Published: 2013
Subjects:
Online Access:https://hdl.handle.net/10356/95892
http://hdl.handle.net/10220/10015