A simple application of a readily available quantum chemistry program (AMPAC) permits an illuminating presentation of the role of vibrational modes in electronic transitions. A direct comparison of modal surfaces for different electronic states of the same molecule can be made by using a perspective
โฆ LIBER โฆ
On the role of the vibrational entropy in phase transitions at surfaces
โ Scribed by B.N.J. Persson
- Publisher
- Elsevier Science
- Year
- 1989
- Tongue
- English
- Weight
- 315 KB
- Volume
- 70
- Category
- Article
- ISSN
- 0038-1098
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Phase transitions at grain boundaries have analyzed thermodynamically in two-component systems. Possible types of phase diagrams for grain boundaries in such systems are studied. The effect of the second component on the "special grain boundary-genera1 boundary" phase transition has been examined ex