Two solvation models are available in NWChem: COSMO and SMD. Since some of the COSMO parameters are used for SMD, we suggest to read the COSMO section before the SMD one.

Spain’s 1-Chlorohexane market demonstrates promising growth, driven by advancements in technology and increasing demand across diverse sectors. The country’s focus on renewable energy and sustainable ...

HG-XDH specifically reacts with the Halo-tag substrate 5-chlorohexane (CH) incorporated near the GCN4-binding DNA sequence (Nguyen et al., 2017; Nguyen et al., 2019). The dynamic DNA scaffold in the ...

The STM images of 1-chlorohexane, which is the intermediate halogen case, are shown in Figs. 1 b, 2 b, and 3 and reveal a highly ordered monolayer with a moderately bright halogen substituent. Fig. 3 ...

Thermodynamic properties for binary mixtures of 1-chlorohexane + some hydrocarbons at different temperatures and atmospheric pressure. Journal of Molecular Liquids 2019, 294, 111510.

Five chlorinated aliphatic hydrocarbons, namely 1-2-dichloroethane, 1,1,2-trichloroethane, trichloroethylene, 2,3-dichlorobutane and 1-chlorohexane were investigated to determine their influence ...