Literature DB >> 9012344

The Water Dipole Moment in Water Clusters

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Abstract

The average dipole moment of a water molecule in the condensed phase is enhanced by around 40 percent relative to that of an isolated monomer. This enhancement results from the large polarization caused by the electric field induced by surrounding monomers. A quantitative molecular description of this polarization is essential for modeling aqueous solvation phenomena. This combined theoretical and experimental study of dipole moments in small water clusters provides such a description and also gives insights into the structure of liquid water.

Entities:  

Year:  1997        PMID: 9012344     DOI: 10.1126/science.275.5301.814

Source DB:  PubMed          Journal:  Science        ISSN: 0036-8075            Impact factor:   47.728


  32 in total

1.  Multibody effects in ion binding and selectivity.

Authors:  Sameer Varma; Susan B Rempe
Journal:  Biophys J       Date:  2010-11-17       Impact factor: 4.033

2.  Selectivity in K+ channels is due to topological control of the permeant ion's coordinated state.

Authors:  David L Bostick; Charles L Brooks
Journal:  Proc Natl Acad Sci U S A       Date:  2007-05-22       Impact factor: 11.205

3.  Effect of microsolvation on zwitterionic glycine: an ab initio and density functional theory study.

Authors:  Prabhat K Sahu; Shyi-Long Lee
Journal:  J Mol Model       Date:  2008-03-11       Impact factor: 1.810

4.  K+/Na+ selectivity in toy cation binding site models is determined by the 'host'.

Authors:  David L Bostick; Karunesh Arora; Charles L Brooks
Journal:  Biophys J       Date:  2009-05-20       Impact factor: 4.033

5.  Quantum mechanical force field for water with explicit electronic polarization.

Authors:  Jaebeom Han; Michael J M Mazack; Peng Zhang; Donald G Truhlar; Jiali Gao
Journal:  J Chem Phys       Date:  2013-08-07       Impact factor: 3.488

6.  Role of proton ordering in adsorption preference of polar molecule on ice surface.

Authors:  Zhaoru Sun; Ding Pan; Limei Xu; Enge Wang
Journal:  Proc Natl Acad Sci U S A       Date:  2012-07-25       Impact factor: 11.205

7.  Molecular modeling and dynamics studies with explicit inclusion of electronic polarizability. Theory and applications.

Authors:  Pedro E M Lopes; Benoit Roux; Alexander D Mackerell
Journal:  Theor Chem Acc       Date:  2009-09       Impact factor: 1.702

8.  Signature properties of water: Their molecular electronic origins.

Authors:  Vlad P Sokhan; Andrew P Jones; Flaviu S Cipcigan; Jason Crain; Glenn J Martyna
Journal:  Proc Natl Acad Sci U S A       Date:  2015-05-04       Impact factor: 11.205

9.  Recent Developments and Applications of the CHARMM force fields.

Authors:  Xiao Zhu; Pedro E M Lopes; Alexander D Mackerell
Journal:  Wiley Interdiscip Rev Comput Mol Sci       Date:  2011-06-28

10.  Protein-Ligand Electrostatic Binding Free Energies from Explicit and Implicit Solvation.

Authors:  Saeed Izadi; Boris Aguilar; Alexey V Onufriev
Journal:  J Chem Theory Comput       Date:  2015-08-21       Impact factor: 6.006

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