Calculated spin-spin coupling surfaces in the water molecule; prediction and analysis ofJ(O,H),J(O,D) andJ(H,D) in water isotopomers
Author:
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
http://www.tandfonline.com/doi/pdf/10.1080/002689798167700
Reference59 articles.
1. Coupled‐cluster calculations of indirect nuclear coupling constants: The importance of non‐Fermi contact contributions
2. Calculation of nuclear spin–spin couplings. VII. Electron correlation effects on the five coupling mechanisms
3. Second-order polarization propagator calculations of indirect nuclear spin-spin coupling tensors in the water molecule
4. Ab initio investigation of the electron correlation effect on Ramsey's terms of the nuclear spin—spin coupling tensor
5. Calculations of nuclear spin—spin coupling constants
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