Concepedia

The stereochemical assignment of acyclic polyols: a computational study of the NMR data of a library of stereopentad sequences from polyketide natural products

Steven Smith, Julia A. Channon, Ian Paterson, Jonathan M. Goodman

Tetrahedron · 2010 · 27 citations · 59 references

Concepts

Combinatorial ChemistrySynthetic MacromoleculeMedicinal ChemistryBioorganic ChemistryEngineeringBiochemistryNatural SciencesAcyclic PolyolsOrganic ChemistryStereoselective SynthesisChemistryChemical BiologyStereochemical AssignmentStereopentad SequencesPolymer Synthesis

References

59

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

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 52.9K citations

Localized Excited State, Engineering, Exchange Energies +17

Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

Philip J. Stephens, F. J. Devlin, Cary F. Chabalowski et al. · The Journal of Physical Chemistry · 1994 · 22.5K citations

Vibrational Absorption, Engineering, Altmetric Attention Score +16

Ab initio molecular orbital theory

Warren J. Hehre · Accounts of Chemical Research · 1976 · 7.9K citations

Engineering, Databases, Altmetric Attention Score +16