Skip to main content
. 2017 Oct 10;8(12):8325–8335. doi: 10.1039/c7sc03466k

Table 2. Composition of the macromolecular phase, including its different molecular constituents, after 750 ps of REMD and for various temperatures.

T (K) Composition O/C H/C Molecules
423 C682H375O28 0.041 0.550 C434H229O16, C235H136O11, C13H10O1
604 C693H388O31 0.045 0.560 C522H283O25, C113H61O3, C40H29O3, C18H15O
901 C688H383O33 0.048 0.557 C289H148O13, C238H141O13, C113H62O3, C35H22O3, C13H10O
1407 C748H273O19 0.025 0.364 C748H273O19