From 298f8732e9c5347db1e909cd7e595f213034a036 Mon Sep 17 00:00:00 2001
From: athomps <athomps@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Fri, 25 Jan 2013 19:39:08 +0000
Subject: [PATCH] Updated ReaxFF ZnO citation
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9329 f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
potentials/README.reax | 6 +++---
potentials/ffield.reax.ZnOH | 2 +-
2 files changed, 4 insertions(+), 4 deletions(-)
diff --git a/potentials/README.reax b/potentials/README.reax
index ea48680124..76275ff654 100644
--- a/potentials/README.reax
+++ b/potentials/README.reax
@@ -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.
diff --git a/potentials/ffield.reax.ZnOH b/potentials/ffield.reax.ZnOH
index 00d22a00c1..988dd39375 100644
--- a/potentials/ffield.reax.ZnOH
+++ b/potentials/ffield.reax.ZnOH
@@ -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
--
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