CHBC Faculty Publications

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Author: Wolinski, Krzysztof

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TitlePublication NamePub. TypeYear
GIAO nuclear magnetic shielding tensors in free base porphyrin and in magnesium and zinc metalloporphyrinsJournal of Physical Chemistry AJournal Article1999
Magnetic shielding surface in molecules. Neutron as a probe in the hypothetical magnetic resonance spectroscopy.Journal of Chemical PhysicsJournal Article1997
Comparison of NMR shieldings calculated from Hartree-Fock and density functional wave functions using gauge-including atomic orbitalsJournal of Physical ChemistryJournal Article1996
Evaluation of the Dipeptide Approximation in Peptide Modeling by Abinitio Geometry Optimizations of OligopeptidesJournal of the American Chemical SocietyJournal Article1993
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .67. The 4-21g Optimized Structure of a Novel Cage Dimer, C22h24, and Comparison with Its Crystal-Structure.Journal of Molecular Structure-TheochemJournal Article1990
Crystal-Structures of 4,4'-Dimethoxydithiophene and Comparison with Quantum-Mechanical CalculationsJournal of Molecular StructureJournal Article1989
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .62. The 4-21g Optimized Structure of the Steroid, 4,4-Dimethylandrostan-3-OneJournal of Molecular Structure-TheochemJournal Article1988
Structure of 3,3'-Dimethoxy-2,2'-Bithiophene and Comparison with Quantum-Mechanical CalculationsActa Crystallographica Section B-Structural ScienceJournal Article1988