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Updated ReaxFF ZnO citation 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9329 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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athomps 2013-01-25 19:39:08 +00:00
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potentials/README.reax
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@ -57,6 +57,6 @@ M.; van Duin, A. C. T.; Kubicki, J. D. J. Phys. Chem. A 2010, 114,
ffield.reax.V_O_C_H: Reactive MD-force field: V/O/C/H potential:
Chenoweth, K.; et al. J. Phys. Chem. C, 2008, 112, 14645-14654.
ffield.reax.ZnOH: Reactive MD-force field: water/zinc: Raymand, D.;
van Duin A.C.T.; Baudin M.; Hermannson K. Surface Science 2008, 602,
1020-1031.
ffield.reax.ZnOH: Reactive MD-force field: water/zinc: Raymand, D.;
van Duin, A. C. T.; Spangberg, D.; Goddard, W. A.; Hermansson, K.
Surface Science 2010, 604, 9-10, 741-752.

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potentials/ffield.reax.ZnOH
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@ -1,4 +1,4 @@
Reactive MD-force field: water/zinc: Raymand, D.; van Duin A.C.T.; Baudin M.; Hermannson K. Surface Science 2008, 602, 1020-1031.
Reactive MD-force field: water/zinc: Raymand, D.; van Duin, A. C. T.; Spangberg, D.; Goddard, W. A.; Hermansson, K. Surface Science 2010, 604, 9-10, 741-752.
39 ! Number of general parameters
50.0000 !Overcoordination parameter
9.5469 !Overcoordination parameter