In　this　paper,　the　delocalized　d-pπ　bonding　theory　in　solid　state　compounds　has　been　developed　by　calculations　and　theoretical　analysis　of　the　band　structures　for　a　series　of　transition　metal　compounds　with　layer　and　chain　structures.　From　the　research　on　the　d-pπ　energy　band,　a　convenient　method　of　determining　the　material　conductivity　by　the　count　of　the　d　electron　number　has　been　proposed,　and　the　essence　of　d　electronic　delocalization　and　the　charge　transfer　affecting　the　conductivity　have　been　explained.