Thomas D. Bouman

Localized orbital/local origin method for calculation and analysis of NMR shieldings. Applications to 13C shielding tensors

Aage E. Hansen, Thomas D. Bouman · The Journal of Chemical Physics · 1985 · 447 citations

Engineering, Nmr Shieldings, Magnetic Resonance +20

NMR shielding calculations beyond coupled Hartree—Fock: second-order correlation effects in localized-orbital/local-origin calculations of molecules containing phosphorus

Thomas D. Bouman, Aage E. Hansen · Chemical Physics Letters · 1990 · 103 citations

Coupled Hartree—fock, Natural Sciences, Electron Paramagnetic Resonance +9

Calculation, display, and analysis of the nature of nonsymmetric nuclear magnetic resonance shielding tensors: Application to three-membered rings

Aage E. Hansen, Thomas D. Bouman · The Journal of Chemical Physics · 1989 · 96 citations

Engineering, Magnetic Resonance, Molecular Biology +18

Large‐scale <scp>RPA</scp> calculations of chiroptical properties of organic molecules: Program RPAC

Thomas D. Bouman, Aage E. Hansen, Bjørn Voigt et al. · International Journal of Quantum Chemistry · 1983 · 82 citations

Chiroptical Properties, Engineering, Organic Chemistry +21

The octant rule. 5. Nature of the third nodal surface. An understanding of "anti-octant" and front octant effects by a CNDO/S study of rotatory strengths of the carbonyl n .fwdarw. .pi.* transition

Thomas D. Bouman, David A. Lightner · Journal of the American Chemical Society · 1976 · 74 citations

Inorganic Chemistry, Front Octant Effects, Octant Rule +8