Concepedia
Journal of Molecular Modeling · 2020 · 19 citations · 41 references
Chemical EngineeringBioenergyGas PhaseSynthetic FuelDft MethodThermodynamics StudyPetroleum Refining
41
Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 101.1K citations
Electron Density, Chemical Thermodynamics, Engineering +13
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 98.6K citations
Electron Density, Gradient Expansions, Engineering +14
Nist chemistry webbook, nist standard reference database number 69
P. Linstorm · Medical Entomology and Zoology · 1998 · 4.6K citations
Chemical Engineering, Main Group Chemistry, Chemistry +1
Gaussian-2 theory for molecular energies of first- and second-row compounds
Larry A. Curtiss, Krishnan Raghavachari, Gary W. Trucks et al. · The Journal of Chemical Physics · 1991 · 3.4K citations
A complete basis set model chemistry. V. Extensions to six or more heavy atoms
Joseph W. Ochterski, George A. Petersson, John A. Montgomery · The Journal of Chemical Physics · 1996 · 1.6K citations
Engineering, Cbs Models, Computational Chemistry +23