Article subjects are automatically applied from the ACS Subject Taxonomy and describe the scientific concepts and themes of the article. The following article details two oxidant cleaning workflows ...

Two solvation models are available in NWChem: COSMO and SMD. Since some of the COSMO parameters are used for SMD, we suggest to read the COSMO section before the SMD one. COSMO is the continuum ...

Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences, Guangzhou 510640, P. R. China CAS Key Laboratory of Renewable Energy, Guangzhou 510640, P. R. China Guangzhou Institute of Energy ...