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. 2020 Jul 27;88:107348. doi: 10.1016/j.compbiolchem.2020.107348

Table 4.

Topological parameters of the title compound at critical point.

Critical points ρ (u.a) Δρ (u.a) H(r) (u.a) G(r) (u.a) V(r) (u.a) Eint (kJ mol-1)
Monomer RCP1 0.0213 0.1554 0.0074 0.0314 −0.0239 -
RCP2 0.0376 0.2290 0.0055 0.0517 −0.0462 -
Dimer BCP1 0.2819 −0.9714 −0.2806 0.0378 −0.3185 −417.9796
RCP2 0.0212 0.1547 0.0074 0.0312 −0.0238 -
RCP2 0.0379 0.2312 0.0054 0.0523 −0.0468 -
NRCP1 0.0079 0.0310 0.0068 0.0068 −0.0059 -