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  Multipolar Force Fields for Amide-I Spectroscopy from Conformational Dynamics of the Alanine Trimer

Mondal, P., Cazade, P.-A., Das, A. K., Bereau, T., & Meuwly, M. (2021). Multipolar Force Fields for Amide-I Spectroscopy from Conformational Dynamics of the Alanine Trimer. The Journal of Physical Chemistry B, 125(19), 10928-10938. doi:10.1021/acs.jpcb.1c05423.

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 Creators:
Mondal, Padmabati1, 2, 3, Author
Cazade, Pierre-André1, 4, Author
Das, Akshaya K.1, 5, Author
Bereau, Tristan1, 6, 7, 8, Author           
Meuwly, Markus1, 9, Author
Affiliations:
1Univ Basel, Dept Chem, Basel, Switzerland, ou_persistent22              
2Indian Inst Sci Educ & Res IISER Tirupati, Dept Chem, Andhra Pradesh, India, ou_persistent22              
3Indian Inst Sci Educ & Res IISER Tirupati, Ctr Atom Mol & Opt Sci & Technol, Andhra Pradesh, India, ou_persistent22              
4Univ Limerick, Bernal Inst, Limerick, Ireland, ou_persistent22              
5Univ Calif Berkeley, Pitzer Theory Ctr, Berkeley, CA 94720 USA, ou_persistent22              
6Univ Amsterdam, Van 'T Hoff Institute for Molecular Sciences and Informatics, Amsterdam, Netherlands, ou_persistent22              
7Univ Amsterdam, Informat Inst, Amsterdam, Netherlands, ou_persistent22              
8Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society, ou_1800287              
9Brown Univ, Dept Chem, Providence/RI 02912, USA, ou_persistent22              

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Language(s): eng - English
 Dates: 2021-09-242021-10-07
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: -
 Identifiers: DOI: 10.1021/acs.jpcb.1c05423
 Degree: -

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Title: The Journal of Physical Chemistry B
  Abbreviation : J. Phys. Chem. B
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: Washington, D.C. : American Chemical Society
Pages: - Volume / Issue: 125 (19) Sequence Number: - Start / End Page: 10928 - 10938 Identifier: ISSN: 1520-6106
CoNE: https://pure.mpg.de/cone/journals/resource/1000000000293370_1