Ab inito study and NBO analysis of the enantiomerization energy profile of tetra-peri-substituted overcrowded naphthalenes

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Natural Sciences, Chemistry, Physics +13

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

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Natural Sciences, Chemistry, Physics +17

Ab initio molecular orbital theory

Warren J. Hehre · Accounts of Chemical Research · 1976 · 7.9K citations

Natural Sciences, Chemistry, Computational Chemistry +5

Ab initio molecular orbital theory

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Structure of transition states. Are they symmetric

James McIver · Accounts of Chemical Research · 1974 · 293 citations

Natural Sciences, Chemistry, Change Measurement +6