Refinement of Molecular Simulation methodology: Development of Polarisable Solvents and Techniques to Enhance configurational Sampling

Metadata Label Value
Author(s): Kunz, Anna-Pitschna Enrica
Publisher: ETH
Citation:

Kunz, Anna-Pitschna Enrica. Refinement of Molecular Simulation methodology: Development of Polarisable Solvents and Techniques to Enhance configurational Sampling. ETH (2011). http://dx.doi.org/10.3929/ethz-a-6618381

Document Type: Doctoral and Habilitation Theses  
Documents: Abstract (43.80KB), Fulltext (3.78MB)

Detailed Information

Metadata Description
Title Refinement of Molecular Simulation methodology: Development of Polarisable Solvents and Techniques to Enhance configurational Sampling
Author(s) Kunz, Anna-Pitschna Enrica
Publication Place Zürich
Publisher ETH
Publication Date 2011
Notes Diss., Eidgenössische Technische Hochschule ETH Zürich, Nr. 19479
Language English
DOI http://dx.doi.org/10.3929/ethz-a-6618381
Subject(s) Theoretical Chemistry, Quantum Chemistry
Keyword(s) COMPUTER APPLICATIONS IN CHEMISTRY
MOLECULAR DYNAMICS
MOLECULAR PHYSICS
ELECTROSTATICS
PHYSICS
ELECTRICAL DIPOLE MOMENT
WATER AND WATER CHEMISTRY
INORGANIC CHEMISTRY
FOLDING OF POLYPEPTIDE CHAIN
PROTEINS
PEPTIDES
Description File Name MIME Type Size
Abstract   eth-3069-01.pdf application/pdf 43.80KB
Fulltext   eth-3069-02.pdf application/pdf 3.78MB
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E-Collection record created: Tue, 13 Sep 2011, 04:27:58 CET