Quantum Mechanical Static Dipole Polarizabilities in the QM7b and AlphaML Sho...
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https://b2find.eudat.eu/dataset/1cf12151-1f3f-5046-b42a-c34fa86a0c99
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Dipole polarizabilities (and other molecular properties) computed using linear response coupled cluster theory (LR-CCSD/d-aug-cc-pVDZ) and hybrid density functional theory...
本数据集涵盖通过线性响应耦合簇理论(LR-CCSD/d-aug-cc-pVDZ)与杂化密度泛函理论计算得到的偶极极化率及其他分子性质……



