Ab Initio SCF Nonlinear Pair Population Analysis. A New Means of Detection and Localization of Multicenter Bonding

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The nonlinear population analysis recently formulated at the level of semiempirical MO methods was generalized so as to be applicable to the ab initia SCF closed shell level of theory. The method provides a new, efficient means of visualization of molecular structure especially for molecules with co...

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Detalles Bibliográficos
Autores principales: Bochicchio, R.C., Ponec, R., Uhlík, F.
Formato: JOUR
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00201669_v36_n23_p5363_Bochicchio
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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