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First-principle modeling is used to identify the most likely conformations of two molecular modules A(EG)3,6 and A(EG)3,6CH2A (A=CONH, EG=(CH2)2O), which in self-assembled monolayers form, respectively, one- and two-layered networks of hydrogen-bonded amides (HBAs). The molecular bond lengths and angles within HBA chains, which are formed within (3×3)R30∘ hexagonal arrays of identical modules, were...
Recently, self-assemblies of HS(CH 2 ) 15 CONH(CH 2 CH 2 O) 6 H were found to undergo a reversible temperature-driven conformational transition from the helical to all-trans state [R. Valiokas, M. Östblom, S. Svedhem, S.C.T. Svensson, B. Liedberg 104 (2000) 7565]. The transition reveals distinctive signatures in the reflection–absorption (RA) spectrum associated...
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