NDLI: Hydrogen bonds and proton transfer in ferroelectrics and related materials (Molecular chains, proteins, DNA): ab initio Gaussian-98 calculations and soliton models

Content Provider	IEEE Xplore Digital Library
Author	Bystrov, V. Green, M. Sapronova, A. Ovtchinnikova, G. Tazieva, T. Soloshenko, A. Zapol, B.
Copyright Year	2002
Description	Author affiliation: Inst. of Math. Problems of Biol., Acad. of Sci., Pushchino, Russia (Bystrov, V.)
Abstract	Hydrogen bonds and proton transfer play an important key role in hydrogen-bonded ferroelectrics phase transitions, in protein folding and conformation changes in DNA, and in the biomembrane's ion channels. In this presentation we analyze the possible mechanisms of proton subsystem's influence on the phase or conformation transition. Two main approaches are considered: 1) continuum condensed matter physics description-soliton models; 2) quantum-chemical ab initio calculations on the basis of Gaussian98 software. The main results of both representations are that at the first step of transition the protons cascade are arising with agreements of experimental observations. We discuss new possible quantum mechanism of this proton cascade and new effects in proton transfer in ferroelectrics and related systems.
Starting Page	41
Ending Page	44
File Size	340366
Page Count	4
File Format	PDF
ISBN	0780374142
ISSN	10994734
DOI	10.1109/ISAF.2002.1195865
Language	English
Publisher	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Publisher Date	2002-06-01
Publisher Place	Japan
Access Restriction	Subscribed
Rights Holder	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Subject Keyword	Ferroelectric materials Hydrogen Protons Proteins DNA Gaussian processes Solitons Biological materials Phase change materials Physics
Content Type	Text
Resource Type	Article

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