Cruz, J. Martinez-Aguilera, L.M.R. Salcedo, R. Castro, M. <br/><br/>
Reactivity properties of derivatives of 2-imidazoline: an ab initio DFT study. 

 -  2001. 
 - Vol. 85, no. 4-5, 15 Nov.-5 Dec., pp. 546-55. 
 = International Journal of Quantum Chemistry 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Ab initio calculations<br/>Chemical reactions<br/>Density functional theory<br/>Molecular configurations<br/>Molecular electronic states<br/>Orbital calculations<br/>Organic compounds<br/>Reaction kinetics theory<br/>Solvent effects
<br/><br/><label>Subjects--Facted Index Terms: </label><br/>Reactivity properties<br/>2-imidazoline<br/>Ab initio DFT study<br/>2-imidazoline derivatives<br/>Structural properties<br/>Electronic properties<br/>Imidazoline derivatives<br/>Density functional theory<br/>Chain lengths<br/>Pendant groups<br/>All-electron calculations<br/>Gaussian-98 program<br/>Mulliken population analysis<br/>Natural population analysis<br/>Neutral molecules<br/>Charged molecules<br/>Reactivity<br/>Fukui indices<br/>Tertiary N atoms<br/>Iminic N atoms