Bupivacaine conformers optimized at the B3LYP/cc-pVTZ in the gas phase and solvated
收藏Figshare2018-09-26 更新2026-04-29 收录
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https://figshare.com/articles/dataset/Bupivacaine_conformers_optimized_at_the_B3LYP_cc-pVTZ_in_the_gas_phase_and_solvated/7115711
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资源简介：
Energy minima for bupivacaine obtained at the B3LYP/cc-pVTZ in the gas phase and with COSMO water. The files include electronic energy and zero point energy. Filenames with "w" include COSMO solvation.
创建时间：
2018-09-26
