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hexahelicene

 
National Institutes of Health

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helicenes

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2016
2016
Vibronic Coupling Explains the Different Shape of Electronic Circular Dichroism and of Circularly Polarized Luminescence Spectra of Hexahelicenes.
We present the simulation of the absorption (ABS), electronic circular dichroism (ECD), emission (EMI), and circularly polarized… Expand
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Highly Cited
2013
Highly Cited
2013
Dispersion-corrected density functional theory for aromatic interactions in complex systems.
Aromatic interactions play a key role in many chemical and biological systems. However, even if very simple models are chosen… Expand
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Highly Cited
2013
Highly Cited
2013
Performance of Non-Local and Atom-Pairwise Dispersion Corrections to DFT for Structural Parameters of Molecules with Noncovalent Interactions.
The nonlocal, electron density dependent dispersion correction of Vydrov and Van Voorhis (Vydrov, O. A.; Van Voorhis, T. J. Chem… Expand
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2013
2013
Raman and ROA spectra of (-)- and (+)-2-Br-hexahelicene: experimental and DFT studies of a π-conjugated chiral system.
The Raman optical activity (ROA) spectra of both enantiomers of 2-Br-hexahelicene in chloroform solution have been measured in… Expand
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2011
2011
Searching for a good candidate to perform a chiral nuclear magnetic resonance experiment in disordered phase: a study of 8,9-difluoro-P-hexahelicene.
Calculations of nuclear magnetic shielding polarizabilities of the P-hexahelicene and 8,9-difluoro-P-hexahelicene molecules have… Expand
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2009
2009
Synthesis of hexahelicene and 1-methoxyhexahelicene via cycloisomerization of biphenylyl-naphthalene derivatives.
The new approach provides nonphotochemical syntheses of helicenes based on the easy, convergent, and modular assembly of key… Expand
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2009
2009
Experimental and calculated vibrational and electronic circular dichroism spectra of 2-Br-hexahelicene.
The vibrational circular dichroism (VCD) and IR absorption spectra of the (-)-enantiomer of 2-Br-hexahelicene have been measured… Expand
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2009
2009
Vibrational Raman optical activity of pi-conjugated helical systems: Hexahelicene and heterohelicenes
Helicenes constitute a special class of molecules combining helical conformation with pi-electron delocalization. These confer to… Expand
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2001
2001
Comparative supramolecular chemistry of coronene, hexahelicene, and [18]crown-6: hydrated and solvated molecular complexes of [18]crown-6 with 5-hydroxyisophthalic acid and related di- and…
The outer rim of C-H bonds of coronene (COR) and hexahelicene (HEL) is similar to that of the crown conformation of [18]crown-6… Expand
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1981
1981
Lamellar Twinning Explains the Nearly Racemic Composition of Chiral, Single Crystals of Hexahelicene
Solvent etching of single crystals of hexahelicene grown from a racemic solution reveals an unusual layer-like pattern in which… Expand
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