Molecular dynamics and residual entropy in the soft crystal, SmE phase, of 4-butyl-4'-isothiocyano-1, 1'-biphenyl
Article Abstract:
Molecular dynamics and resulting disorder in the soft crystal, smectic E (SmE) phase, were studied for the title compound, 4-butyl-4'-isothiocyano-1, 1'-biphenyl (4TCB), by 1H NMR spectroscopy and adiabatic calorimetery. The result reveals the ordered crystal phase of 4TBC was realized for the first time under ambient pressure after long two-step annealing.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Analysis of the p-tert-butylcalix[4]arene bis-crown derivative (Dc3)-acetonitrile host-guest complexing behaviour by nuclear magnetic resonance (NMR) spectroscopy and computational methods
Article Abstract:
The structure and dynamics of the calix[4]arene bis-crown derivative (Dc3) and the host-guest system formed by Dc3 and acetonitrile in a chloroform solution are analyzed by nuclear magnetic resonance (NMR) spectral measurements, molecular mechanics, and molecular dynamics calculations. The molecular modeling studies and the NMR data obtained are described.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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Why pH titration in protein solutions follows a Hofmeiser series
Article Abstract:
The measurements of pH in single-phase cytochrome c suspensions are reported. A theoretical interpretation is given, providing insights into Hofmeister effects revealing that it occur generally in protein solutions.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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