Concepedia
Journal of Computer-Aided Molecular Design · 1998 · 41 citations · 61 references
Life SciencesBiochemistryChemistryMetabolismChemical MutagenesisMutagenicity AssessmentTautomerism In Heterocycles
61
Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions
R. Krishnan, J. Stephen Binkley, Rolf Seeger et al. · The Journal of Chemical Physics · 1980 · 17.5K citations
Natural Sciences, Chemistry, Physics +11
Free radicals in biology and medicine
General Pharmacology The Vascular System · 1991 · 17.2K citations
Life Sciences, Biochemistry, Physiology +12
Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
Warren J. Hehre, R. Ditchfield, John A. Pople · The Journal of Chemical Physics · 1972 · 15.8K citations
Natural Sciences, Chemistry, Physics +16
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
Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, <i>Z</i>=11–18
A. D. McLean, G. S. Chandler · The Journal of Chemical Physics · 1980 · 9.7K citations
Natural Sciences, Chemistry, Physics +13