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Fractal structure of equipotential curves on a continuum percolation model

✍ Scribed by Shigeki Matsutani; Yoshiyuki Shimosako; Yunhong Wang

Book ID: 119347074
Publisher: Elsevier Science
Year: 2012
Tongue: English
Weight: 1005 KB
Volume: 391
Category: Article
ISSN: 0378-4371
DOI: 10.1016/j.physa.2012.06.056

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## Abstract Potential energy surfaces of the model peptide HCO‐L‐Ala‐NH~2~ were calculated using polarizable continuum model (PCM) for the description of aqueous solution at RHF/3‐21G, RHF/6‐31+G(d), and B3LYP/6‐31+G(d) levels of theory. Energy minima were optimized at all three levels as well as a