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Design of new molecular dynamics global minimum search protocols for mapping energy landscapes and conformations of folded polypeptides and mini-proteins.
(2005)
First, a new MD search strategy called DIvergent Path (DIP) search simulation is developed in which the simulations start with several independent polypeptides having the same initial coordinates and temperatures but ...
A new vapor density technique for studying proton donor - acceptor interactions in the gas phase.
(1981)
Vapor density measurements are reported for 2,2,2-trifluoroethanol (TFE) and acetone and for the binary mixtures of TFE with water, methanol, ethanol, and 2-butanol and acetone with water, methanol, ethanol, and 2-butanol. ...
Vibrational spectroscopy of phosphate-based electrodes for lithium rechargeable batteries.
(2006)
The favorable energy densities and cycling performances attainable from lithium rechargeable batteries has prompted aggressive research in this field for over 30 years. In particular, phosphate-based electrodes receive ...
Single-molecule spectroscopic investigation of the influence that charge-charge interactions, solvation, and confinement have on guest molecule rotational mobility and photostability within silica sol-gel host matrices.
(2006)
To investigate physical immobilization further, guest behavior was monitored within the more highly branched silica nanoparticle matrix, when covalently bonded to silica nanoparticles, and within pores templated by gold ...