| On the calculation of Bonding Energies by the Hartree Fock Slater method T Ziegler, A Rauk Theoretical Chemistry Accounts: Theory, Computation, and Modeling …, 1977 | 2576 | 1977 |
| A theoretical study of the ethylene-metal bond in complexes between copper (1+), silver (1+), gold (1+), platinum (0) or platinum (2+) and ethylene, based on the Hartree-Fock … T Ziegler, A Rauk Inorganic Chemistry 18 (6), 1558-1565, 1979 | 1261 | 1979 |
| On the calculation of multiplet energies by the Hartree-Fock-Slater method T Ziegler, A Rauk, EJ Baerends Theoretical Chemistry Accounts: Theory, Computation, and Modeling …, 1977 | 1159 | 1977 |
| Carbon monoxide, carbon monosulfide, molecular nitrogen, phosphorus trifluoride, and methyl isocyanide as. sigma. donors and. pi. acceptors. A theoretical study by the Hartree … T Ziegler, A Rauk Inorganic Chemistry 18 (7), 1755-1759, 1979 | 1074 | 1979 |
| Frontmatter and Index A Rauk Orbital Interaction Theory of Organic Chemistry, Second Edition, i-iv, 2002 | 552* | 2002 |
| The chemistry of Alzheimer’s disease A Rauk Chemical Society Reviews 38 (9), 2698-2715, 2009 | 508 | 2009 |
| Pyramidale Inversion A Rauk, LC Allen, K Mislow Angewandte Chemie 82 (12), 453-468, 1970 | 488 | 1970 |
| Pyramidal inversion A Rauk, LC Allen, K Mislow Angewandte Chemie International Edition in English 9 (6), 400-414, 2003 | 395 | 2003 |
| Heats of formation from G2, G2 (MP2), and G2 (MP2, SVP) total energies A Nicolaides, A Rauk, MN Glukhovtsev, L Radom The Journal of Physical Chemistry 100 (44), 17460-17464, 1996 | 362 | 1996 |
| Electronic structure and inversion barrier of ammonia A Rauk, LC Allen, E Clementi The Journal of Chemical Physics 52, 4133, 1970 | 260 | 1970 |
| Radicals and ions of glycine: An ab initio study of the structures and gas-phase thermochemistry D Yu, A Rauk, DA Armstrong Journal of the American Chemical Society 117 (6), 1789-1796, 1995 | 204 | 1995 |
| The electronic structures of tetrahedral oxo-complexes. The nature of the “charge transfer” transitions T Ziegler, A Rauk, EJ Baerends Chemical Physics 16 (2), 209-217, 1976 | 172 | 1976 |
| CH Bond Dissociation Energies of Alkyl Amines: Radical Structures and Stabilization Energies § DDM Wayner, KB Clark, A Rauk, D Yu, DA Armstrong Journal of the American Chemical Society 119 (38), 8925-8932, 1997 | 171 | 1997 |
| Effects of structure on αC-H bond enthalpies of amino acid residues: relevance to H transfers in enzyme mechanisms and in protein oxidation A Rauk, D Yu, J Taylor, GV Shustov, DA Block, DA Armstrong Biochemistry 38 (28), 9089-9096, 1999 | 170 | 1999 |
| Semiempirical calculation of barriers to pyramidal inversion for first-and second-row elements A Rauk, JD Andose, WG Frick, R Tang, K Mislow Journal of the American Chemical Society 93 (24), 6507-6515, 1971 | 164 | 1971 |
| A theoretical study of the Edward–Lemieux effect (the anomeric effect). The stereochemical requirements of adjacent electron pairs and polar bonds S Wolfe, A Rauk, LM Tel, IG Csizmadia J. Chem. Soc. B, 136-145, 1971 | 155 | 1971 |
| Why is the amyloid beta peptide of Alzheimer's disease neurotoxic? A Rauk Dalton Trans., 1273-1282, 2008 | 153 | 2008 |
| Electronic structure of PH5 and intramolecular ligand exchange in phosphoranes. Model studies A Rauk, LC Allen, K Mislow Journal of the American Chemical Society 94 (9), 3035-3040, 1972 | 151 | 1972 |
| Molecular dynamics simulation of a polyunsaturated lipid bilayer susceptible to lipid peroxidation M Bachar, P Brunelle, DP Tieleman, A Rauk The Journal of Physical Chemistry B 108 (22), 7170-7179, 2004 | 141 | 2004 |
| Oxidative damage to and by cysteine in proteins: An ab initio study of the radical structures, CH, SH, and CC bond dissociation energies, and transition structures for H … A Rauk, D Yu, DA Armstrong Journal of the American Chemical Society 120 (34), 8848-8855, 1998 | 134 | 1998 |
