Results indicated very precise correlations. Based on these correlations, heats of formation of some aliphatic nitro compounds can be predicted at 95% ...
May 26, 2017 · We present improved correlations between theoretical and experimental determ ination of heat of formation of some aliphatic nitro compounds.
Bibliographic details on Correlations Between Theoretical and Experimental Determination of Heat of Formation of Certain Aliphatic Nitro Compounds.
Correlations between theoretical and experimental determination of heat of formation of certain aliphatic nitro compounds.
Results indicate that there are very precise correlations. Based on these correlations, heats of formation of some aromatic nitro compounds can be predicted at ...
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We present improved correlations between theoretical and experimental determination of heat of formation of some aliphatic nitro compounds.
We present improved correlations between theoretical and experimental determination of heat of formation of some aliphatic nitro compounds.
Feb 15, 2021 · ABSTRACT: The thermal stability of a set of aliphatic nitroalkanes, comprising primary and secondary nitroalkanes, with short and.
Abstract: An approach to converting HF and DFT energies of molecules, ions, and radicals to standard enthalpies of formation is presented.
An accurate and cost-efficient methodology for the estimation of the enthalpies of formation for closed-shell compounds composed of C, H, O, and N atoms is ...