Retrieval of effective cloud field parameters from radiometric data
Sign Up to like & getrecommendations! Published in 2017 at "Theoretical and Applied Climatology"
DOI: 10.1007/s00704-017-2192-8
Abstract: Clouds play a key role in establishing the Earth’s climate. Real cloud fields are very different and very complex in both morphological and microphysical senses. Consequently, the numerical description of the cloud field is a… read more here.
Keywords: effective cloud; parameters radiometric; cloud field; field ... See more keywords
A field parameters-based method for real-time wear estimation of disc cutter on TBM cutterhead
Sign Up to like & getrecommendations! Published in 2021 at "Automation in Construction"
DOI: 10.1016/j.autcon.2021.103603
Abstract: Abstract In hard rock TBM tunneling, the loss caused by disc cutter wear accounts for a large proportion of time and cost for the entire project. However, existing disc cutter wear prediction models mainly focus… read more here.
Keywords: disc cutter; field parameters; real time; cutter ... See more keywords
Determination of molecular force field parameters for nitronyl nitroxide derivatives using quantum chemical calculations
Sign Up to like & getrecommendations! Published in 2017 at "Polyhedron"
DOI: 10.1016/j.poly.2017.03.009
Abstract: Abstract The molecular force field plays an important role in molecular design. The force field parameters of small molecules were obtained by applying quantum chemical calculations on a limited number of compounds. However, force field… read more here.
Keywords: nitronyl nitroxide; quantum chemical; force field; field ... See more keywords
Drude Polarizable Force Field Parametrization of Carboxylate and N-acetyl Amine Carbohydrate Derivatives.
Sign Up to like & getrecommendations! Published in 2019 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.9b00327
Abstract: In this work, we report the development of Drude polarizable force-field parameters for the carboxylate and N-acetyl amine derivatives, extending the functionality of existing Drude polarizable carbohydrate force field. The force field parameters have been… read more here.
Keywords: force field; drude polarizable; field parameters; force ... See more keywords
Quantum-based machine learning and AI models to generate force field parameters for drug-like small molecules
Sign Up to like & getrecommendations! Published in 2022 at "Frontiers in Molecular Biosciences"
DOI: 10.3389/fmolb.2022.1002535
Abstract: Force fields for drug-like small molecules play an essential role in molecular dynamics simulations and binding free energy calculations. In particular, the accurate generation of partial charges on small molecules is critical to understanding the… read more here.
Keywords: force field; field parameters; drug like; small molecules ... See more keywords