diff --git a/potentials/README.reax b/potentials/README.reax index ea48680124d4a17f4171b53fa034902673e072c7..76275ff654008e8610f8edd3e98e42be97e6e1f8 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 00d22a00c140742d478261910a8ac3ecba7cf783..988dd393757a74dde5d681b872dfca1156fa8a18 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