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The Peculiar Potential Surface of the Carbon Dioxide Dimer by Krzystof B. Domański; Osamu Kitao; Koichiro Nakanishi is a Physics and Astronomy article available to read on EtoBox.

What is The Peculiar Potential Surface of the Carbon Dioxide Dimer about?

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 long distance region and one minimum at the short distance near 3.3 A. This peculiar minimum appeared after induding the electronic correlation effect. The origin of this minimum is discussed in detail.

Who reads The Peculiar Potential Surface of the Carbon Dioxide Dimer?

Author

Krzystof B. Domański; Osamu Kitao; Koichiro Nakanishi

Publisher

Elsevier Science; Elsevier ; Elsevier BV (ISSN 0009-2614)

Published

1992

Language

EN

Field

Physics and Astronomy (Physical Sciences)