Notlolla bokhoni ba khemistri ea likhomphutha ka koetliso ea rona e pharaletseng e etselitsoeng litsebi tsa khemistri. Ikenyetse ho khemistri ea quantum, tseba ho rarolla 'Schrödinger equation', 'me u hloae tiori ea 'molecular orbital'. Fumana boiphihlelo ba ho sebelisa mananeo a bohlokoa joalo ka 'Gaussian' le 'ORCA', 'me u ntlafatse tsebo ea hau tlhahlobong ea data le ho ngola litlaleho. Ithute ho bolela esale pele thepa ea limolek'hule, ho sekaseka 'electronic reactivity', le ho etsa lipalo tsa matla. Phahamisa boiphihlelo ba hau ka litaba tse sebetsang, tsa boleng bo holimo tse etselitsoeng ts'ebeliso ea 'nete.
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Tseba mekhoa ea quantum: Utloisisa sebopeho sa liathomo u sebelisa mekhoa ea quantum.
Sekaseka lintlha tsa likhomphutha: Ntša lintlha tse hlakileng ho tsoa ho 'chemistry simulations' tse rarahaneng.
Sebelisa software ea khemistri: Sebelisa 'Gaussian' le 'ORCA' bakeng sa lipalo tse nepahetseng.
Fana ka liphumano: Hlahisa liphetho tsa saense ka mokhoa o hlakileng le o nang le tšusumetso.
Bolela esale pele thepa ea limolek'hule: Sebelisa tiori ea 'molecular orbital' bakeng sa liboleleli esale pele tse nepahetseng.