Accurate excited-state geometries: a CASPT2 and coupled-cluster reference database for small molecules

Budzák, Šimon, 1982- Accurate excited-state geometries: a CASPT2 and coupled-cluster reference database for small molecules / Šimon Budzák, Giovanni Scalmani, Denis Jacquemin

In Journal of Chemical Theory and Computation. -- Washington : The American Chemical Society, 2017. -- ISSN 1549-9618. -- ISSN 1549-9626. -- Vol. 13, no. 12 (2017), pp. 6237-6252

1. excitované stavy 2. predpovede geometrií 3. metódy spriahnutých klastrov 4. CASPT2

I. Scalmani, Giovanni
II. Jacquemin, Denis
III. Journal of Chemical Theory and Computation. -- Vol. 13, no. 12 (2017), pp. 6237-6252

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