Literature DB >> 12633241

Temperature-dependent hydrogen-bond geometry in liquid water.

Kristofer Modig1, Bernd G Pfrommer, Bertil Halle.   

Abstract

We have determined the hydrogen-bond geometry in liquid water from 0 to 80 degrees C by combining measurements of the proton magnetic shielding tensor with ab initio density functional calculations. The resulting moments of the distributions of hydrogen-bond length and angle are direct measures of thermal disorder in the hydrogen-bond network. These moments, and the distribution functions that can be reconstructed from them, impose quantitative constraints on structural models of liquid water.

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Year:  2003        PMID： 12633241     DOI： 10.1103/PhysRevLett.90.075502

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN： 0031-9007            Impact factor:   9.161


  19 in total

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