Q-Chem
Код 2406155
- ISBN: 978-5-5113-4908-4
Код 2406155
High Quality Content by WIKIPEDIA articles! Q-Chem is an ab initio computational chemistry software program. Q-Chem can perform a number of general quantum chemistry calculations, including Hartree-Fock, density functional theory (DFT), coupled cluster (CC), configuration interaction (for single electron excitations—CIS) and other advanced electronic structure methods. The Q-Chem computational engines are also included in Spartan.
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