Concepedia
Chemical Geology · 2012 · 10 citations · 18 references
Aqua–gas SystemChemical EngineeringChemical OceanographyEngineeringIsotope GeochemistryAb Initio CalculationsMarine ChemistryGeochemistryHydrogenChemistry
18
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
General atomic and molecular electronic structure system
Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.1K citations
Parallel Calculations, Engineering, Detailed Speecup Results +18
Note on an Approximation Treatment for Many-Electron Systems
CHR. KN. MØLLER, M. S. Plesset · Physical Review · 1934 · 14.4K citations
Numerical Analysis, Engineering, Zero-order Approximation +16
An Evaluation of Harmonic Vibrational Frequency Scale Factors
Jeffrey Merrick, Damian Moran, Leo Radom · The Journal of Physical Chemistry A · 2007 · 2.6K citations
Engineering, Mechanical Engineering, Harmonic Frequencies +16