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Theoretical study of structure and thermodynamic properties of YC2 by S. Roszak; K. Balasubramanian is a Physics and Astronomy article available to read on EtoBox.
What is Theoretical study of structure and thermodynamic properties of YC2 about?
Ab initio complete active space self-consistent field (CASSCF) followed by configuration interaction computations that included up to 530000 configurations are carried out on YC 2. Dissociation and atomization energies for the theoretically determined structure agree with the experimental studies of the thermodynamic properties of YC 2. The calculated Gibbs energy functions and heat content functions for YC 2 support experimental studies, despite the difference between the theoretically determined structure and the assumed structure.
Who reads Theoretical study of structure and thermodynamic properties of YC2?
It is typically read by researchers, students, and practitioners in Physics and Astronomy.
- Author
- S. Roszak; K. Balasubramanian
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 0009-2614)
- Published
- 1995
- Language
- EN
- Field
- Physics and Astronomy (Physical Sciences)