Lidocaine conformers calculated at the B3LYP/cc-pVTZ in the gas phase and solvated.
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https://figshare.com/articles/Lidocaine_conformers_calculated_at_the_B3LYP_cc-pVTZ_in_the_gas_phase_and_solvated_/7115717/1
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Energy minima for lidocaine calculated at the B3LYP/cc-pVTZ level of theory in the gas phase and with COSMO water. Files include electronic energies and zero point energies. Filenames with "w" include COSMO solvation.
创建时间：
2018-09-26
