Journal ArticleDOI
Effect of environment on hydrogen bond dynamics in liquid water.
Alenka Luzar,David Chandler +1 more
TLDR
It is demonstrated that the long time dynamics of a single hydrogen bond in ambient liquid water is indeed characterized by significant nonexponential relaxation, and this complex relaxation is essentially uncorrelated to the specific bonding patterns near the tagged hydrogen bond.Abstract:
In a series of molecular dynamics calculations we simulate the dynamics of forming and breaking a hydrogen bond in liquid water at room temperature. We show that this dynamics is clearly nonexponential, yet virtually uncorrelated with the fluctuations of neighboring bonds.read more
Citations
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Journal ArticleDOI
Chiral Discrimination of a Proline-Based Stationary Phase: Adhesion Forces and Calculated Selectivity Factors
TL;DR: In this paper, a t-butoxycarbonyl- (t-Boc-) terminated monoproline selector was grafted through an amide linkage to an aminopropyl siloxane-terminated Si(111) wafer and to a silicon atomic force microscopy tip.
Dissertation
Simulations of nonuniform fluids with long-ranged and short-ranged interactions
TL;DR: Liu et al. as discussed by the authors studied two model systems: amphiphiles on a hydrophilic silica surface and charge overcompensation at the boundary of a colloid by multivalent ions.
Dissertation
Hydrogen bond reorganization and vibrational relaxation in water studied with ultrafast infrared spectroscopy
TL;DR: Tokmakoff et al. as mentioned in this paper used ultrafast infrared spectroscopy of the OX stretch (where X = H, D, or T) of isotopically dilute water to measure vibrational relaxation and reorientational dynamics of water.
Journal ArticleDOI
Pearling and helical nanostructures of model protocell membranes
TL;DR: In this article, the evolution of the morphology of cell-sized model protocell membranes from giant vesicles to pearling and helical nanostructures, resembling morphologies of eukaryocytes, nostoc, and spirilla, was reported.
Journal ArticleDOI
Molecular Dynamics Simulation in the Interlayer of Mixed-Layer Clays Due to Hydration and Swelling Mechanism
TL;DR: In this paper, a molecular dynamics (MD) study of the differences in swelling behavior between I-M mixed-layer clay (MLC) containing K+ and Na+, and Na-montmorillonite (MMT) was performed.