Michael A. McAllister
Affiliations: | University of North Texas, Denton, TX, United States |
Area:
Organic Chemistry, Physical ChemistryGoogle:
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Publications
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| Kumar GA, McAllister MA. (2019) Theoretical Investigation of the Relationship between Proton NMR Chemical Shift and Hydrogen Bond Strength. The Journal of Organic Chemistry. 63: 6968-6972 |
| Pan Y, McAllister MA. (2019) Characterization of Low-Barrier Hydrogen Bonds. 5. Microsolvation of Enol-Enolate. An ab Initio and DFT Investigation. The Journal of Organic Chemistry. 62: 8171-8176 |
| Johnson JE, Morales NM, Gorczyca AM, et al. (2001) Mechanisms of acid-catalyzed Z/E isomerization of imines. The Journal of Organic Chemistry. 66: 7979-85 |
| McAllister MA, Hubbard JL, Castellani MP. (2000) Steric versus electronic control during the carbonylation of substituted thexylboranes. A semi-empirical investigation Journal of Molecular Structure-Theochem. 496: 41-65 |
| Pan Y, McAllister MA. (2000) Theoretical investigation of the role of hydrogen bonding during ketosteroid isomerase catalysis Journal of Molecular Structure-Theochem. 504: 29-33 |
| Johnson JE, Jano I, McAllister MA. (1999) Reaction of methoxide ion with the Z‐ and E‐isomers of O‐methylbenzohydroximoyl cyanide. Theoretical calculations on the conformations of the tetrahedral intermediate Journal of Physical Organic Chemistry. 12: 240-246 |
| Rodríguez AM, Baldoni HA, Suvire F, et al. (1998) Characteristics of Ramachandran maps of L-alanine diamides as computed by various molecular mechanics, semiempirical and ab initio MO methods. A search for primary standard of peptide conformational stability Journal of Molecular Structure: Theochem. 455: 275-301 |
| Pan Y, McAllister MA. (1998) Characterization of low-barrier hydrogen bonds 4. Basis set and correlation effects: an ab initio and DFT investigation Journal of Molecular Structure-Theochem. 427: 221-227 |
| McAllister MA. (1998) Characterization of low-barrier hydrogen bonds 2. HF2−: a density functional and ab initio study Journal of Molecular Structure-Theochem. 427: 39-53 |
| Shangguan C, McAllister MA. (1998) Characterization of intermediates on the 1O2 + R2S potential energy surface. A high-level ab initio study Journal of Molecular Structure-Theochem. 422: 123-132 |