Going green: Stachys scardica H. leaves extract derived from supercritical CO2 extraction as an effective corrosion inhibitor for mild steel in 1 M HCl media

COMPASS II: extended coverage for polymer and drug-like molecule databases

Huai Sun, Zhao Jin, Chunwei Yang et al. · Journal of Molecular Modeling · 2016 · 996 citations

Pharmacy, Chemistry, Medicinal Chemistry +14

The <scp>COSMO</scp> and <scp>COSMO‐RS</scp> solvation models

Andreas Klamt · Wiley Interdisciplinary Reviews Computational Molecular Science · 2017 · 373 citations

Natural Sciences, Chemistry, Medicinal Chemistry +16

COMPASS III: automated fitting workflows and extension to ionic liquids

Reinier Akkermans, Neil A. Spenley, Struan H. Robertson · Molecular Simulation · 2020 · 332 citations

Natural Sciences, Chemistry, Computational Chemistry +16

Unlocking plant resources to support food security and promote sustainable agriculture

Tiziana Ulian, Mauricio Diazgranados, Samuel Pironon et al. · Plants People Planet · 2020 · 299 citations · Full text

Agriculture, Plant Sciences, Sustainable Agriculture +14

Toward understanding the adsorption mechanism of large size organic corrosion inhibitors on an Fe(110) surface using the DFTB method

Lei Guo, QI Cheng-wei, Xingwen Zheng et al. · RSC Advances · 2017 · 270 citations · Full text

Natural Sciences, Materials Engineering, Materials Science +15