Generalized energy-based fragmentation approach for calculations of solvation energies of large systemsElectronic supplementary information (ESI) available: Details of GEBF-SMD formula derivation and GEBF-SMD calculations with different NPA charges. See DOI: 10.1039/d1cp02814f
In: Physical chemistry chemical physics, Jg. 23 (2021), Heft 35, S. 19394-19401
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Titel: |
Generalized energy-based fragmentation approach for calculations of solvation energies of large systemsElectronic supplementary information (ESI) available: Details of GEBF-SMD formula derivation and GEBF-SMD calculations with different NPA charges. See DOI: 10.1039/d1cp02814f
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Autor/in / Beteiligte Person: | Liao, Kang ; Wang, Shirong ; Li, Wei ; Li, Shuhua |
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Zeitschrift: | Physical chemistry chemical physics, Jg. 23 (2021), Heft 35, S. 19394-19401 |
Veröffentlichung: | 2021 |
Medientyp: | serialPeriodical |
ISSN: | 1463-9076 (print) |
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