Parameterization of a reactive force field using a Monte Carlo algorithm

DFT Study on Characterization of Hydrogen Bonds in the Hydrates of MgSO4

(2012) Eldhose Iype et al.   Journal of Physical Chemistry C

Molecular dynamics simulation of O2 sticking on Pt(111) using the ab initio based ReaxFF reactive force field

(2010) Paolo Valentini et al.   JOURNAL OF CHEMICAL PHYSICS

Development of a ReaxFF description of gold oxides and initial application to cold welding of partially oxidized gold surfaces

(2010) Kaushik Joshi et al.   JOURNAL OF MATERIALS CHEMISTRY

Development of a ReaxFF Reactive Force Field for Aqueous Chloride and Copper Chloride

(2010) Obaidur Rahaman et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Development of a Transferable Reactive Force Field for Cobalt

(2010) Matthew R. LaBrosse et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Development and Validation of a ReaxFF Reactive Force Field for Cu Cation/Water Interactions and Copper Metal/Metal Oxide/Metal Hydroxide Condensed Phases

(2010) Adri C. T. van Duin et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Development of a Reactive Force Field for Iron−Oxyhydroxide Systems

(2010) Masoud Aryanpour et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Reactive forcefield for simulating gold surfaces and nanoparticles

(2010) John A. Keith et al.   PHYSICAL REVIEW B

Characterization of MgSO[sub 4] Hydrate for Thermochemical Seasonal Heat Storage

(2009) V. M. van Essen et al.   JOURNAL OF SOLAR ENERGY ENGINEERING-TRANSACTIONS OF THE ASME

A review on long-term sorption solar energy storage

(2009) K. Edem N’Tsoukpoe et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

(2008) Kimberly Chenoweth et al.   JOURNAL OF PHYSICAL CHEMISTRY A