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Inside Back Cover: Almost Enclosed Buckyball Joints: Synthesis, Complex Formation, and Computational Simulations of Pentypticene‐Extended Tribenzotriquinacene (ChemPhysChem 17/2014)
Author(s) -
Henne Stefan,
Bredenkötter Björn,
Alaghemandi Mohammad,
Bureekaew Sareeya,
Schmid Rochus,
Volkmer Dirk
Publication year - 2014
Publication title -
chemphyschem
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201490087
Subject(s) - cover (algebra) , molecular dynamics , computational chemistry , chemistry , solvent , chemical physics , nanotechnology , materials science , engineering , mechanical engineering , organic chemistry
On p. 3855, R. Schmid, D. Volkmer, et al. show that it is possible to explain the experimental complexation constants of a novel flexible tribenzotriquinacene receptor for C 60 by computing the binding free energy with an explicit solvent mode.