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- W2012122109 abstract "It is well established that conductivity, dielectric and elastic relaxation, optical spectra etc in ice and other hydrogen-bonded (HB) systems (one- two and three dimensional)1 is connected with structural imperfections (ionic and Bjerrum D and L) violating the Bernai-Fowler rules2, 3. Here we will study the protonic structure of a D or L defect and consider the dominant effect which is the intrasite and intersite tunneling of the protons but taking properly into account the polarisation state of the environment in the sense discussed below. We will consider a zig-zag HB molecular chain model (see Fig.1) of a Bernai-Fowler filament2. As a Bjerrum-like defect we will consider a situation when there are two protons (or lack of it) on the line between two adjacent heavy atoms which we will suppose to be immobile, and the protons are quantum particles. The ground state wavefunction and energy of the HB chain with one D (L) defect is calculated and it is shown that the appearence of D (L) defect is accompanied by the creation of ionic defect bounded to the D (L) defect." @default.
- W2012122109 created "2016-06-24" @default.
- W2012122109 creator A5082543128 @default.
- W2012122109 date "1995-04-01" @default.
- W2012122109 modified "2023-09-25" @default.
- W2012122109 title "Bjerrum defects as quantum non-linear excitations of hydrogen bonded systems" @default.
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- W2012122109 doi "https://doi.org/10.1016/0167-2738(94)00304-b" @default.
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