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Transport properties, thermodynamic properties, and electronic structure of

โœ Scribed by Allen, P. B.; Berger, H.; Chauvet, O.; Forro, L.; Jarlborg, T.; Junod, A.; Revaz, B.; Santi, G.


Book ID
127158674
Publisher
The American Physical Society
Year
1996
Tongue
English
Weight
127 KB
Volume
53
Category
Article
ISSN
1098-0121

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Electronic structure and thermodynamic p
โœ S. Roszak; K. Balasubramanian ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 473 KB

Ab initio calculations including M011er-Plesset second order perturbation (MP2), density functional theory (DFT), complete active space self-consistent field (CASSCF) and multireference singles and doubles configuration interaction (MRSDCI) computations are carried out for the YIrC and YC:Ir molecul