A cikin ilmin sunadarai, wani kwayoyin kwayoyin (MO) wani nau'i ne na ilmin lissafi wanda ya kwatanta halayen halayen lantarki a cikin kwayoyin. Ana iya amfani da wannan aikin don ƙididdige halayen sinadarai da na jiki irin su yiwuwar gano wani lantarki a kowane yanki. Robert S. Mulliken ya gabatar da kalmar orbital a 1932 a matsayin raguwa ga aikin lantarki guda ɗaya. A matakin farko, ana amfani da shi don bayyana yankin sararin samaniya wanda aikin yana da mahimmancin amplitude. Ana amfani da kwayoyin kwayoyin halitta ta hanyar haɗuwa da kwayoyin atomatik ko kwayoyin kwayoyin halitta daga kowane kwayar halitta, ko wasu kwayoyin kwayoyin halitta daga kungiyoyin kwayoyin. Ana iya lissafta su ta hanyar amfani da HartreeFock ko hanyoyin da suka dace (SCF) Tambaya: Menene MOF yake tsaye?
ƙwayoyin kwayoyin halitta