The　molecular　geometries　and　electronic　structures　of　the　fullerene　derivatives　C　36(OH)　n　(n　=　1∼2)　have　been　investigated　on　the　basis　of　density　functional　theory　calculation　at　the　B3LYP/6-31++G　*　level.　The　geometry　optimization　results　indicate　that　the　location　of　C2　atom　is　the　most　active　site　in　the　three　potential　adding　patterns,　and　the　C1　or　C2　site　has　a　larger　binding　energy　than　C3　for　the　addition　reactions　of　C　36　(D　6h)　cage　and　OH　radicals　resulting　from　the　larger　curvature.　The　electronic　structure　calculation　results　disclose　that　the　C2　site　has　larger　electronic　population　in　HOMO　and　larger　spin　density,　and　the　addition　reaction　on　the　C2　site　need　overcome　a　lesser　energy　gap　than　that　on　the　C1　or　C3　site.　Thus,　the　addition　is　controlled　jointly　by　the　curvature　and　the　electronic　factors.　Besides,　when　two　hydroxyls　are　added　to　the　C　36　surface,　the　C2　sites　are　also　the　most　active　locations.　The　most　stable　addition　adduct　of　C　36(OH)　2　is　the　isomer　which　holds　C　i　symmetry,　and　the　spin　multiplicity　seriously　affects　the　stabilities　of　the　adducts.