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Specifying Molecular Electronic and Geometrical Structures

Specifying Molecular Electronic and Geometrical Structures. Parts I: Cartesian Coordinates. How to Construct Cartesian coordinates of an Atom in a Molecule. e.g., C 2v H 2 O. sp 3 hybridization of the O center. y. H1. H2. 104 ?. 0.9. O. x.

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Specifying Molecular Electronic and Geometrical Structures