Browsing by Author "Lee, Matthew Colin John"
Lee, Matthew Colin John; Smith, Derek W. (Elsevier, 2009)Bondingness, originally used in a qualitative analysis of the barrier to rotation in ethane, has been used to model ΔfH° (g) for simple organic substances. The model is parameterised with a set of 345 molecules including ...
Correlations between MO Eigenvectors and the Thermochemistry of Simple Organic Molecules, Related to Empirical Bond Additivity Schemes Lee, Matthew Colin John (The University of Waikato, 2008)A bondingness term is further developed to aid in heat of formation (ΔfHº) calculations for C, N, O and S containing molecules. Bondingness originated from qualitative investigations into the antibonding effect in the ...
Co-authors for Matthew Colin John Lee
Matthew Colin John Lee has 1 co-authors in Research Commons.