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Vienna soil organic matter modeler 2 (VSOMM2).
Escalona Y, Petrov D, Oostenbrink C. Escalona Y, et al. Among authors: petrov d. J Mol Graph Model. 2021 Mar;103:107817. doi: 10.1016/j.jmgm.2020.107817. Epub 2020 Nov 26. J Mol Graph Model. 2021. PMID: 33291027 Free article.
Guidelines for Free-Energy Calculations Involving Charge Changes.
Petrov D, Perthold JW, Oostenbrink C, de Groot BL, Gapsys V. Petrov D, et al. J Chem Theory Comput. 2024 Jan 23;20(2):914-925. doi: 10.1021/acs.jctc.3c00757. Epub 2024 Jan 2. J Chem Theory Comput. 2024. PMID: 38164763 Free PMC article.
Polarization Effects in Simulations of Kaolinite-Water Interfaces.
Galicia-Andrés E, Petrov D, Gerzabek MH, Oostenbrink C, Tunega D. Galicia-Andrés E, et al. Among authors: petrov d. Langmuir. 2019 Nov 26;35(47):15086-15099. doi: 10.1021/acs.langmuir.9b02945. Epub 2019 Nov 12. Langmuir. 2019. PMID: 31663747 Free PMC article.
22 results