@article{audran_power_2019,
title = {Power {Law} {Distribution} {Concerning} {Absolute} {Free} {Energies} of {Linear} {Sulfur} {Chains}, {Polythiazyls}, {Polyisoprenes}, {Linear} trans-{Polyenes}, and {Polyynes}},
volume = {123},
doi = {10.1021/acs.jpca.8b09969},
abstract = {After quantum calculations of absolute free energies of polyatomic sulfur derivatives or hydrocarbon oligomer compounds, we have studied the variations of G(n) as a function of the number of repeating units n (sulfur atoms or hydrocarbon units, G(n) = 2 to about 60), and observed that these values can be correlated by (a) a nearly perfect linear relationship, Gn = An + B (A and B, constants), with a high accuracy which enables an extrapolation for higher values of n, and (b) a power law:, delta G = G(n)/n - G((n-1)) /(n-1) = C/n(d) (C and d, constants). From comparison of variations of the C-C bond lengths, we show that the conjugation of trans-polyenes (up to C60H62) is more important than for polyynes (up to C60H2).},
number = {7},
journal = {Journal of Physical Chemistry A},
author = {Audran, Gerard and Marque, Sylvain R. A. and Santelli, Maurice},
month = feb,
year = {2019},
note = {WOS:000459836600013},
pages = {1380--1388},
}