The peculiar potential surface of the ca
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Krzystof B. Domaลski; Osamu Kitao; Koichiro Nakanishi
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Article
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1992
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Elsevier Science
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English
โ 385 KB
The intermolecular potential surface was constructed for the carbon dioxide dimer for use in molecular simulations of the fluid state, including the super-critical region. During this procedure, peculiar potential curves were found for several specific configurations. There exist one maximum at the