Hochschulschrift

Reducing the expense of electronic structure calculations for larger molecules : optimized auxiliary basis sets, and system-specifically reparametrized semiempirical methods

to related objects

Location: Deutsche Nationalbibliothek Frankfurt am Main

Extent: Online-Ressource

Language: Englisch

Notes: Kiel, Univ., Diss., 2005

Keyword: Molekül
Elektronenstruktur
Semiempirische Methode
Chemische Bindung
Radikal

Creator: Rungtiva Palangsuntikul

URN: urn:nbn:de:gbv:8-diss-14528

Rights: Der Zugriff auf das Objekt ist unbeschränkt möglich.

Last update: 15.08.2025, 7:34 AM CEST

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Hochschulschrift

Associated

Rungtiva Palangsuntikul

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Reducing the expense of electronic structure calculations for larger molecules : optimized auxiliary basis sets, and system-specifically reparametrized semiempirical methods

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Artificial selection reveals the energetic expense of producing larger eggs

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Expense huius Misse.

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Expense huius Misse.

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Financial Protection Against Medical Expense

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Expense hui[us] act[us].

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A semiempirical method optimized for modeling proteins

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Reducing the expense of electronic structure calculations for larger molecules : optimized auxiliary basis sets, and system-specifically reparametrized semiempirical methods

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Reducing the expense of electronic structure calculations for larger molecules : optimized auxiliary basis sets, and system-specifically reparametrized semiempirical methods

Artificial selection reveals the energetic expense of producing larger eggs

Artificial selection reveals the energetic expense of producing larger eggs

Expense huius Misse.

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Expense huius Misse.

Semi-empirical sea-level modelling

Semi-empirical sea-level modelling

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Financial Protection Against Medical Expense

Expense hui[us] act[us].

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Richer and cleaner - at others' expense?

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A semiempirical method optimized for modeling proteins

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