TY - JOUR
T1 - Theoretical study of [n]ivyanes, n = 2-8
AU - Pichierri, Fabio
N1 - Funding Information:
I thank Dr. Michael S. Sherburn for explaining the origin of the name ivyanes and a copy of [2]. The useful comments of anonymous reviewers are gratefully acknowledged. This work is supported by the Global COE program ‘International Center of Research and Education for Molecular Complex Chemistry’ (IREMC) and the Graduate School of Engineering of Tohoku University .
Copyright:
Copyright 2011 Elsevier B.V., All rights reserved.
PY - 2011/8/5
Y1 - 2011/8/5
N2 - Using quantum mechanical calculations we investigate the structural, spectroscopic, and mechanical properties of ivyanes, a novel family of helical hydrocarbons recently synthesized by Sherburn's group [1]. The Young elastic modulus is predicted to be 1.92 GPa, which is about thirty times smaller than that computed for the α-helix.
AB - Using quantum mechanical calculations we investigate the structural, spectroscopic, and mechanical properties of ivyanes, a novel family of helical hydrocarbons recently synthesized by Sherburn's group [1]. The Young elastic modulus is predicted to be 1.92 GPa, which is about thirty times smaller than that computed for the α-helix.
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U2 - 10.1016/j.cplett.2011.06.024
DO - 10.1016/j.cplett.2011.06.024
M3 - Article
AN - SCOPUS:79960919306
VL - 511
SP - 277
EP - 282
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 4-6
ER -