Force fields current status

Having shown that both Sprengel explosives and organic peroxides have been seriously studied, and in numerous cases applied as commercial energetic materials, their current status needs to be addressed. As stressed in each case, these materials were too unstable, unfriendly, and unpredictable for continued use in a field populated with much better alternatives. Terrorists, however, often do not have ready access to the commercial and military alternatives in use today. They are not deterred by the factors that forced the Sprengel explosives and the peroxides into mainstream obscurity. 

MacKerell AD, Jr (2005) Empirical Force Fields for Proteins Current Status and Future Directions. Ann. Rep. Comp. Chem. 1 91... 

In April 1940, H.A. Kramers published his work entitled Brownian motion in a field of force and the diffusion model of chemical reactions [1]. This work, which appears to have generated little activity at the time [2], was, many years later, to become one of the most influential contributions to reaction-rate theory in the twentieth century. The prominence of Kramers work is reflected in the titles of two recent reviews on the current status of condensed-phase reaction-rate theory Reaction-rate theory fifty years after Kramers and New trends in Kramers reaction-rate theory . 

Simulation results are primarily determined by the employed force field. Fortunately, in the past two decades, the quality of force fields has greatly improved, mainly due to the inclusion of molecular parameters obtained from high-level ab initio calculations [10]. The aim of this chapter is to review the current status of force field development and application for the prediction of thermodynamic properties of fluids that are relevant for the chemical industry. 

Ponder JW, Wu C, Ren P (2010) Current status of the AMOEBA polarizable force field. J Phys Chem B 114 2549-2564... 

E. Johnson, and T. Head-Gordon,/. Phys. Chem. B, 114(8), 2549—2564 (2010). Current Status of the AMOEBA Polarizable Force Field. 

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