Thermochimica Acta · 2002 · 86 citations · 17 references
Natural SciencesMechanical EngineeringPhysicsHeat TransferQuantum MechanicsThermodynamicsAb Initio MethodsComputational Quantum MechanicsDetonation TheoryHeat Transfer ModelingQuantum SimulationStatistical MechanicsDetonationDetonation PhysicsQuantum Mechanical Model
17
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
Ab initio molecular orbital theory
Warren J. Hehre · Accounts of Chemical Research · 1976 · 7.9K citations