Joint energy and reserve market design with explicit consideration on frequency quality

In this work, we carry out new time-dependent density functional theory calculations on the cationic tripeptide GAG in implicit and explicit water to determine the transitions that give rise to the observed CD signals of polyproline II and β-strand conformations. Our results reveal a plethora of electronic transitions that are governed by configurational interactions between multiple molecular orbital transitions of comparable energy. We also show that reproducing the CD spectra of polyproline II and β-strand conformations requires the explicit consideration of water molecules. The structure dependence of delocalized occupied orbitals contributes to the experimentally-observed invalidation of Flory’s isolated pair hypothesis.

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A New Interpretation of the Structure and Solvent Dependence of the Far UV Circular Dichroism Spectrum of Short Oligopeptides

10.26434/chemrxiv.8028134 ◽

2019 ◽

Author(s):

Anshuman Kumar ◽

Reinhard Schweitzer-Stenner ◽

Bryan Wong

Keyword(s):

Density Functional ◽

Density Functional Theory Calculations ◽

Cd Spectra ◽

Functional Theory ◽

Polyproline Ii ◽

Solvent Dependence ◽

Explicit Consideration ◽

New Interpretation ◽

Implicit And Explicit ◽

Explicit Water

In this work, we carry out new time-dependent density functional theory calculations on the cationic tripeptide GAG in implicit and explicit water to determine the transitions that give rise to the observed CD signals of polyproline II and β-strand conformations. Our results reveal a plethora of electronic transitions that are governed by configurational interactions between multiple molecular orbital transitions of comparable energy. We also show that reproducing the CD spectra of polyproline II and β-strand conformations requires the explicit consideration of water molecules. The structure dependence of delocalized occupied orbitals contributes to the experimentally-observed invalidation of Flory’s isolated pair hypothesis.

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An Intelligent Computational Algorithm for Optimal Self Scheduling of GENCOs to Improve The Profit in a Day-ahead Energy and Reserve Market

International Journal of Computer Sciences and Engineering ◽

10.26438/ijcse/v6i8.251265 ◽

2018 ◽

Vol 6 (8) ◽

pp. 251-265

Author(s):

Senthilvadivu A ◽

Gayathri K ◽

Asokan K

Keyword(s):

Computational Algorithm ◽

Reserve Market

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Informationsqualität in der Produktentwicklung: Modellbasiertes Systems Engineering mit expliziter Berücksichtigung von Unsicherheit/Information Quality in Product Engineering: Model-Based Systems Engineering in Explicit Consideration of Uncertainty

Konstruktion ◽

10.37544/0720-5953-2020-11-12-76 ◽

2020 ◽

Vol 72 (11-12) ◽

pp. 76-83

Author(s):

Jens Pottebaum ◽

Iris Gräßler

Keyword(s):

Systems Engineering ◽

Information Quality ◽

Engineering Model ◽

Model Based ◽

Product Engineering ◽

Explicit Consideration ◽

Model Based Systems Engineering

Inhalt Unscharfe Anforderungen, verschiedene Lösungs-alternativen oder eingeschränkt gültige Simulationsmodelle sind Beispiele für inhärente Unsicherheit in der Produktentwicklung. Im vorliegenden Beitrag wird ein modellbasierter Ansatz vorgestellt, der das industriell etablierte Denken in Sicherheitsfaktoren um qualitative Aspekte ergänzt. Modelle der Informationsqualität helfen, die Unsicherheit von Ent- wicklungsartefakten beschreibend zu charakterisieren. Mittels semantischer Technologien wird Unsicherheit so wirklich handhabbar – nicht im Sinne einer Berechnung, sondern im Sinne einer qualitativen Interpretation. Dadurch entsteht wertvolles Wissen für die iterative Anforderungsanalyse, die Bewertung alternativer System-Architekturen oder für die Rekonfiguration von Simulationen.

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