Concepedia
Journal of Molecular Structure THEOCHEM · 1990 · 18 citations · 30 references
Natural SciencesChemistryMedicinal ChemistryComputational ChemistryOrganic ChemistryQuantum ChemistryAb Initio MethodsCrystal ChemistryHeterocyclic ChemistryMolecular Orbital TheoryMolecular SymmetryAb Initio Molecular CalculationsPyridazine ChemistryTautomerism In Heterocycles
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The influence of polarization functions on molecular orbital hydrogenation energies
P. C. Hariharan, John A. Pople · Theoretical Chemistry Accounts · 1973 · 15.7K citations
Natural Sciences, Chemistry, Physics +14
Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model
Michael J. S. Dewar, Eve G. Zoebisch, Eamonn F. Healy et al. · Journal of the American Chemical Society · 1985 · 13.1K citations
Natural Sciences, Chemistry, Physics +10
Ground states of molecules. 38. The MNDO method. Approximations and parameters
Michael J. S. Dewar, Walter Thiel · Journal of the American Chemical Society · 1977 · 5.1K citations
Natural Sciences, Chemistry, Computational Chemistry +5
Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements
J. Stephen Binkley, John A. Pople, Warren J. Hehre · Journal of the American Chemical Society · 1980 · 3.9K citations
Natural Sciences, Chemistry, Computational Chemistry +7
Ground states of molecules. XXV. MINDO/3. Improved version of the MINDO semiempirical SCF-MO method
Richard C. Bingham, Michael J. S. Dewar, Donald H. Lo · Journal of the American Chemical Society · 1975 · 1.6K citations