Ab initio intermolecular potential energy surfaces of the Kr–CS2 and Xe–CS2 complexes
Author:
Funder
National Natural Science Foundation of China
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
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4. Rotational Spectra of NeCO2Isotopomers
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1. Potential Energy Surface and Bound States of Ne–Li2+(X2Σg+) van der Waals Complex Based on Ab Initio Calculations;The Journal of Physical Chemistry A;2023-10-27
2. Calculation of the Transport and Relaxation Properties of the Ar···HCl van der Waals Complex Using a New Potential Energy Surface: Comparison of the Classical and Full Quantum Mechanical Kinetic Theory Results with Molecular Dynamics Simulations;The Journal of Physical Chemistry A;2023-01-18
3. Ab initio Potential Energy Surface for Ne–Li2 in Its Ground Electronic State;Russian Journal of Physical Chemistry A;2019-03
4. References;Noble Gas Chemistry;2018-06-29
5. A New Four-Dimensional Potential Energy Surface and Predicted Infrared Spectra for the Kr-CS2 Complex;Acta Chimica Sinica;2018
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