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Quantum Computational Energy Calculation

Quantum Computational Energy Calculation with G2MP2 method and CCSDT for compound CH3OONO2. With the method CCSDT must be calculated and the ZPC from the Basis Set 6-311++G(d, p), which has been applied in the method B3LYP for the optimized molecular geometry.

Kemahiran: Kuantum

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Tentang Majikan:
( 1 ulasan ) ioannina, Greece

ID Projek: #1580641

Dianugerahkan kepada:

hamalis

Dear Sir, firstly i will design the molecule in Hyperchem and i will do a geometry optimization via Gaussian 03. Then i will calculate the energy for both basis sets. I will design the optimized structures via GaussVie Lagi

$30 USD dalam 5 hari
(1 Ulasan)
1.0