Quantum-Chemical Characterization of Nuclear Spin−Spin Couplings Across Hydrogen Bonds
- 1 September 1999
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 121 (37), 8661-8662
- https://doi.org/10.1021/ja9917417
Abstract
No abstract availableThis publication has 15 references indexed in Scilit:
- Direct Observation of Hydrogen Bonds in Proteins by Interresidue 3hJNC‘ Scalar CouplingsJournal of the American Chemical Society, 1999
- Direct Observation of Hydrogen Bonds in Nucleic Acid Base Pairs by Internucleotide 2JNN CouplingsJournal of the American Chemical Society, 1998
- Nuclear magnetic resonance spin–spin coupling constants from density functional theory: Problems and resultsThe Journal of Chemical Physics, 1996
- Spin-orbit correction to NMR shielding constants from density functional theoryChemical Physics Letters, 1996
- Cross-correlation-induced J couplingChemical Physics Letters, 1996
- Calculation of spin—spin coupling constants using density functional theoryChemical Physics Letters, 1994
- Accurate and simple analytic representation of the electron-gas correlation energyPhysical Review B, 1992
- New algorithm for the optimization of geometries in local density functional theoryChemical Physics Letters, 1990
- Crystal structure analysis of a complete turn of B-DNANature, 1980
- Precision neutron diffraction structure determination of protein and nucleic acid components. XII. A study of hydrogen bonding in the purine-pyrimidine base pair 9-methyladenine · 1-methylthymineThe Journal of Chemical Physics, 1973