Modelling of solid-liquid interactions using scaled charges in accord with the Electronic continuum correction

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26310%2F18%3APU140019" target="_blank" >RIV/00216305:26310/18:PU140019 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Modelling of solid-liquid interactions using scaled charges in accord with the Electronic continuum correction
Original language description
Interactions between mineral surfaces and aqueous solutions play an important role in a wide range of natural and industrial phenomena. Over the last years, a lot of scientific attention has been devoted to the exploring of structural and dynamical properties of various compounds in the interfacial and bulk regions. For such purpose, many experimental techniques like non-linear spectroscopy and X-ray reflectivity have been applied to investigate the origin of processes occurring at the mineral-fluid interface. With that, well-known theoretical approaches such as quantum chemical calculations and classical molecular dynamics (CMD) have allowed us to explain these interactions at the atomic and molecular level.
Czech name
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Czech description
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Project
<a href="/en/project/LO1211" target="_blank" >LO1211: Materials Research Centre at FCH BUT- Sustainability and Development</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2018
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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