Reviews in Mineralogy and Geochemistry · 2001 · 48 citations · 109 references
Natural SciencesEarth SciencesPetroleum EngineeringGeochemistryPetroleum GeologyReservoir EngineeringGas-phase Reaction KineticsGeochemical KineticsHydrocarbon GenerationMineral GeochemistryPetroleum GeochemistryProduction MechanismsFirst-principles ModelingGas GenerationHydrocarbon Generation KineticsHydrocarbon Generation ModelingHydrocarbon KineticsNatural GasNatural Gas GenerationPetroleum System Modeling
The last twenty years have seen great advances in the understanding of petroleum and natural gas resulting from the application of new technologies, in particular high-resolution analytical and spectroscopic methods. These advances, coupled with traditional use of natural observation and experimental simulations, have enabled the
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13
Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text
Note on an Approximation Treatment for Many-Electron Systems
CHR. KN. MØLLER, M. S. Plesset · Physical Review · 1934 · 14.6K citations
Ab initio molecular orbital theory
Warren J. Hehre · Accounts of Chemical Research · 1976 · 7.9K citations