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1. Accurate excited-state geometries: a CASPT2 and coupled-cluster reference database for small molecules
| Názov | Accurate excited-state geometries: a CASPT2 and coupled-cluster reference database for small molecules |
|---|---|
| Aut.údaje | Šimon Budzák, Giovanni Scalmani, Denis Jacquemin |
| Autor | Budzák Šimon 1982- (40%) UMBFP08 - Katedra chémie |
| Spoluautori | Scalmani Giovanni (20%) Jacquemin Denis (40%) |
| Zdroj.dok. | Journal of Chemical Theory and Computation. Vol. 13, no. 12 (2017), pp. 6237-6252. - Washington : The American Chemical Society, 2017 |
| Kľúč.slová | excitované stavy predpovede geometrií metódy spriahnutých klastrov CASPT2 |
| Jazyk dok. | angličtina |
| Krajina | Spojené štáty |
| Systematika | 54 |
| Kategória publikačnej činnosti | ADC |
| Číslo archívnej kópie | 41443 |
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| Katal.org. | BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici |
| Báza dát | xpca - PUBLIKAČNÁ ČINNOSŤ |
| Odkazy | PERIODIKÁ-Súborný záznam periodika |