000			02077nam a2200613 a 4500
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005			20231201102149.0
008			231130s2001 mx a|||||||||||||||||||spa d
035			_aPIM01000000375
040			_aIngles
041			_aSPA
100			_aCruz, J.
100			_aMartinez-Aguilera, L.M.R.
100			_aSalcedo, R.
100			_aCastro, M.
110			_aInstituto Mexicano del Petroleo. Programa de Simulacion Molecular
110			_aUniversidad Nacional Autonoma de Mexico. Facultad de Quimica
110			_aUniversidad Nacional Autonoma de Mexico. Instituto de Investigaciones en Materiales
222		0	_aInternational Journal of Quantum Chemistry
245		0	_aReactivity properties of derivatives of 2-imidazoline: an ab initio DFT study.
260			_b2001.
300			_aVol. 85, no. 4-5, 15 Nov.-5 Dec., pp. 546-55.
590			_aArticulo
650			_aAb initio calculations
650			_aChemical reactions
650			_aDensity functional theory
650			_aMolecular configurations
650			_aMolecular electronic states
650			_aOrbital calculations
650			_aOrganic compounds
650			_aReaction kinetics theory
650			_aSolvent effects
654			_aReactivity properties
654			_a2-imidazoline
654			_aAb initio DFT study
654			_a2-imidazoline derivatives
654			_aStructural properties
654			_aElectronic properties
654			_aImidazoline derivatives
654			_aDensity functional theory
654			_aChain lengths
654			_aPendant groups
654			_aAll-electron calculations
654			_aGaussian-98 program
654			_aMulliken population analysis
654			_aNatural population analysis
654			_aNeutral molecules
654			_aCharged molecules
654			_aReactivity
654			_aFukui indices
654			_aTertiary N atoms
654			_aIminic N atoms
856			_uhttps://iim-b.bibliotecas.unam.mx:81/opac-tmpl/bootstrap/images/documentos/articulos/2001-102.pdf _yAcceso texto completo
999			_c20412 _d20412