Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin−Spin Coupling Constants

This publication has 330 references indexed in Scilit:

• Density matrices and density functionals in strong magnetic fields
  Physical Review A, 1997
• Ab InitioTheory of NMR Chemical Shifts in Solids and Liquids
  Physical Review Letters, 1996
• Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions
  Theoretical Chemistry Accounts, 1995
• Correlated and gauge origin independent calculations of magnetic properties
  Theoretical Chemistry Accounts, 1994
• Calculations of magnetic properties. IV. Electron-correlated magnetizabilities and rotational g factors for nine small molecules
  The Journal of Chemical Physics, 1994
• Ab initio study of the NMR shielding constants and spin-spin coupling constants in cyclopropene
  Theoretical Chemistry Accounts, 1993
• Direct computation of second-order SCF properties of large molecules on workstation computers with an application to large carbon clusters
  Theoretical Chemistry Accounts, 1992
• Medium-size polarized basis sets for high-level-correlated calculations of molecular electric properties
  Theoretical Chemistry Accounts, 1991
• A comparison of the IGLO and LORG methods for the calculations of nuclear magnetic shieldings
  Journal of Computational Chemistry, 1990
• An improved NMR technique for homonuclear dipolar decoupling in solids: Application to polycrystalline ice
  The Journal of Chemical Physics, 1979