A density functional theory based estimation of the anharmonic contributions to 
the free energy of a polypeptide helix

Ismer, L.; Ireta, J.; Neugebauer, J.

doi:10.1063/1.3629451

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A density functional theory based estimation of the anharmonic contributions to the free energy of a polypeptide helix

Ismer, L., Ireta, J., & Neugebauer, J. (2011). A density functional theory based estimation of the anharmonic contributions to the free energy of a polypeptide helix. Journal of Chemical Physics, 135(8), 084122-1-084122-7. doi:10.1063/1.3629451.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0019-305B-0 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-0019-305D-C

Genre: Journal Article

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Creators:
Ismer, L.¹, Author
Ireta, J., Author
Neugebauer, J.², Author

Affiliations:
1External Organizations, ou_persistent22
2Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863337

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Language(s): eng - English

Dates: Published in Print: 2011-08-28

Publication Status: Published in print

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Identifiers: eDoc: 626158
DOI: 10.1063/1.3629451

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Title: Journal of Chemical Physics

Alternative Title : J. Chem. Phys.

Source Genre: Journal

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Pages: - Volume / Issue: 135 (8) Sequence Number: - Start / End Page: 084122-1 - 084122-7 Identifier: -