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Conformational Preferences of Gas‐Phase Helices: Experiment and Theory Struggle to Agree: The Seven‐Residue Peptide Ac‐Phe‐(Ala)5‐Lys‐H+
Authors:Dr. Yaoming Xie  Prof. Henry F. Schaefer III  Prof. Radu Silaghi‐Dumitrescu  Dr. Bin Peng  Prof. Qian‐shu Li  Dr. Jaime A. Stearns  Prof. Thomas R. Rizzo
Affiliation:1. Center for Computational Quantum Chemistry, University of Georgia, Athens, GA 30602 (USA);2. Department of Chemistry, Babes Bolyai University, R‐3400 Cluj Napoca (Romania);3. Center for Computational Quantum Chemistry, South China Normal University, Guangzhou, 510631 (P.R. China);4. Laboratoire de Chimie Physique Moléculaire, Ecole Polytechnique Fédérale de Lausanne, 1015 Lausanne (Switzerland);5. Current address: Space Vehicles Directorate, Air Force Research Lab, Kirtland Air Force Base, New Mexico 87117 (USA)
Abstract:
Keywords:density functional calculations  gas‐phase reactions  IR spectroscopy  peptides
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