香港大学量子化学.pptxVIP

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  • 2026-03-17 发布于北京
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ComputationalChemistryG.H.CHENDepartmentofChemistryUniversityofHongKong

In1929,Diracdeclared,“Theunderlyingphysicallawsnecessaryforthemathematicaltheoryof...thewholeofchemistryarethuscompletelyknow,andthedifficultyisonlythattheexactapplicationoftheselawsleadstoequationsmuchtoocomplicatedtobesoluble.”BeginningofComputationalChemistryTheoryisreality! W.A.GoddardIIIDirac

ComputationalChemistryQuantumChemistryMolecularMechanicsBioinformatics CreateAnalyseBio-informationSchr?dingerEquationF=Ma

Mulliken,1966Fukui,1981Hoffman

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