Blar i forfatter Doktorgradsavhandlinger (NT-fak) "Di Remigio, Roberto"
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The Polarizable Continuum Model Goes Viral! Extensible, Modular and Sustainable Development of Quantum Mechanical Continuum Solvation Models
Di Remigio, Roberto (Doctoral thesis; Doktorgradsavhandling, 2017-01-16)Synergistic theoretical and experimental approaches to challenging chemical problems have become more and more widespread, due to the availability of efficient and accurate ab initio quantum chemical models. Limitations to such an approach do, however, still exist. The vast majority of chemical phenomena happens in complex environments, where the molecule of interest can interact with a large number ...