Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 112, Issue 5, Pages 1350-1357Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp076643j
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Funding
- Division Of Materials Research
- Direct For Mathematical & Physical Scien [0832802] Funding Source: National Science Foundation
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Incorporation of extended conjugated chromophores into amphiphilic 4-helix bundle peptides has been shown experimentally to be an effective means to orient the chromphores vectorially in 2-D ensembles with high in-plane density. The designed microscopic hyperpolarizabilty of the chromophore is preserved in the macroscopic NLO response of the ensemble. We show via molecular dynamics simulation that the designed coiled-coil structure of the bundle controls the conformation and dynamics of the chromophore that are critical to optimizing its hyperpolarizability.
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