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      EXTENDED HÜCKEL ORBITAL FORCES

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          Abstract

          The forces acting on individual atoms in a molecule, arising from the distorting effect on the molecular framework of the electrons in the different populated molecular orbitals, are calculated within a simple Extended Hückel formalism. The method, which is strongly dependent on the properties of overlap integrals, is applied to the study of several processes and reactions of chemical interest, such as conformational stability of molecules, torsional stability for rotations around a single bond of some simple molecules and the connection between the forces acting upon atoms and the rules derived from conservation of orbital symmetry in concerted reaction. The results show good agreement with the experimental evidence and the known symmetry rules

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          Table of Interatomic Distances and Configuration in Molecules and Ions

          LE Sutton (1958)
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            J. Am. Chem. Soc.

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              J. Chem. Soc.

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                Author and article information

                Contributors
                Role: ND
                Role: ND
                Role: ND
                Journal
                jcchems
                Journal of the Chilean Chemical Society
                J. Chil. Chem. Soc.
                Sociedad Chilena de Química (Concepción )
                0717-9707
                December 2003
                : 48
                : 4
                : 105-113
                Affiliations
                [1 ] Pontificia Universidad Católica de Chile Chile
                [2 ] Universidad de Chile Chile
                Article
                S0717-97072003000400017
                10.4067/S0717-97072003000400017
                fec83d90-bd65-45d1-a89b-832244fdea85

                http://creativecommons.org/licenses/by/4.0/

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                SciELO Chile

                Self URI (journal page): http://www.scielo.cl/scielo.php?script=sci_serial&pid=0717-9707&lng=en
                Categories
                CHEMISTRY, MULTIDISCIPLINARY

                General chemistry
                Orbital Interactions,Orbital Forces
                General chemistry
                Orbital Interactions, Orbital Forces

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