YAeHMOP - Yale Department of Chemistry

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1. YAeHMOP - Yale Department of Chemistry

Yet Another Extended Htickel Molecular Orbital Package YAeHMOP Version 3 0 User Manual Greg Landrum and Wingfield Glassey July 27 2006 Contents 1 bind 2 viewkel 3 Keywords 3 1 3 2 3 3 3 4 3 9 3 6 3 7 3 8 3 9 3 10 3 11 3 12 3 13 3 14 3 15 3 16 Geometry required o Lattice mandatory for extended systems Crystal Spec required for use of crystallographic co dinat s of A Eats anges a GIB A ene ia le A ald Electrons pot
PDF Manual ENGLISH


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1. YAeHMOP - Yale Department of Chemistry

Yet Another Extended Htickel Molecular Orbital Package YAeHMOP Version 3 0 User Manual Greg Landrum and Wingfield Glassey July 27 2006 Contents 1 bind 2 viewkel 3 Keywords 3 1 3 2 3 3 3 4 3 9 3 6 3 7 3 8 3 9 3 10 3 11 3 12 3 13 3 14 3 15 3 16 Geometry required o Lattice mandatory for extended systems Crystal Spec required for use of crystallographic co dinat s of A Eats anges a GIB A ene ia le A ald Electrons pot
PDF Manual ENGLISH


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