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Rotational States of Adsorbed H2 on Fe(OH)3 Molecule
Journal of the Physical Society of Japan ( IF 1.5 ) Pub Date : 2020-10-15 , DOI: 10.7566/jpsj.89.104601 Safiyah E. Amer 1 , Abdulwahab K. Sallabi 1
Journal of the Physical Society of Japan ( IF 1.5 ) Pub Date : 2020-10-15 , DOI: 10.7566/jpsj.89.104601 Safiyah E. Amer 1 , Abdulwahab K. Sallabi 1
Affiliation
Dispersion-corrected density functional (DFT-D3) and Quantum perturbation theories are used to calculate the potential energy surface (PES), rotational states and energy rotational levels of adsorb...
中文翻译:
Fe(OH)3 分子上吸附 H2 的旋转状态
色散校正密度泛函 (DFT-D3) 和量子微扰理论用于计算吸附的势能面 (PES)、旋转状态和能量旋转能级。
更新日期:2020-10-15
中文翻译:
Fe(OH)3 分子上吸附 H2 的旋转状态
色散校正密度泛函 (DFT-D3) 和量子微扰理论用于计算吸附的势能面 (PES)、旋转状态和能量旋转能级。