Mendel Trachtman

TL;DR: In this paper, reaction involving no hypothetical structures having averaged group energies or particular bond energy assignments are described, that provide an alternative basis for evaluating strain energies of cyclic hydrocarbons.

TL;DR: In this article, the stabilization energies of conjugated cyclic cyclic hydrocarbons are derived by minimizing extraneous energy contributions to the reaction heat arising from changes in hybridization and C-H binding.

TL;DR: In this paper, theoretical and experimental molecular indices are introduced as a measure of these stabilizing effects and calculated values of these indices are compared to experimental results, and the authors describe reactions that provide an alternative basis for evaluating stabilization energies of cyclic conjugated hydrocarbons.

TL;DR: In this article, the authors evaluated theoretical reaction heats, evaluated by using total molecular energies from ten basis sets as reported in the literature, and compared with experiment for nine acyclic C4 hydrocarbons, seven cyclic C3 and C4 polycyclic C5 and five benzenoid Hydrocarbons.

TL;DR: In this paper, the 6-31G basis set has been applied to benzene and the monosubstituted derivatives with CH3, NH2, OH, F, NO, CHCH2, CCH, CCF COO− O−, and with NO2, CHO, CHNH, COOH, CFO, CN, NC and NH3+, as substituent groups.