| Regio- and stereoselectivity in the Diels-Alder reaction of vinylallenes with acrolein: an ab initio study | Journal of Molecular Structure-Theochem | Journal Article | 1999 |
| Reaction pathways for proton exchange between protonated formamide and water | Journal of Molecular Structure-Theochem | Journal Article | 1998 |
| Theoretical study of 1,3-dipolar cycloadditions of nitrone and fulminic acid with substituted ethylenes | Journal of Computational Chemistry | Journal Article | 1998 |
| The ene reaction: Comparison of results of Hartree-Fock, Moller-Plesset, CASSCF, and DFT calculations | International Journal of Quantum Chemistry | Journal Article | 1997 |
| Sulfur aromatic interactions: A computational study of the dimethyl sulfide benzene complex | Bioorganic Chemistry | Journal Article | 1997 |
| Monte Carlo simulations of guanidinium acetate and methylammonium acetate ion pairs in water | Bioorganic Chemistry | Journal Article | 1997 |
| Regiochemistry of the 1,3-dipolar cycloadditon reaction of nitrone with substituted ethylene | Abstracts of Papers of the American Chemical Society | Abstract | 1996 |
| Reactions pathways for Michael additions of enamines | Abstracts of Papers of the American Chemical Society | Abstract | 1996 |
| Ab initio transition structures for the Diels-Alder reaction between vinylallenes and acrolein | Abstracts of Papers of the American Chemical Society | Abstract | 1996 |
| Conformational and tautomeric equilibria of formohydroxamic acid in the gas phase and in aqueous solution | Journal of Molecular Structure-Theochem | Journal Article | 1996 |
| Computational investigations of carbonyl reactions: Comparison between nucleophilic addition versus enolate formation in the reaction of acetaldehyde with hydroxide ion | Journal of Physical Organic Chemistry | Journal Article | 1996 |
| Secondary deuterium isotope effects for enolization reactions | Journal of the American Chemical Society | Journal Article | 1996 |
| Empirical-Evaluation of the Influence of Side-Chains on the Conformational Entropy of the Polypeptide Backbone | Proteins-Structure, Function, and Bioinformatics | Journal Article | 1995 |
| Reexamination of the Conformations of Dimethyl-Phosphate Anion in Water. | Journal of Molecular Structure-Theochem | Journal Article | 1995 |
| Ab-Initio Conformational-Analysis of Alanine. | Journal of Molecular Structure-Theochem | Journal Article | 1995 |
| Computational Investigations of Reactive Intermediates in the Acid-Catalyzed Proton-Exchange in Formamide | Journal of Physical Chemistry | Journal Article | 1995 |
| Ab-Initio Study of the Base-Promoted Hydrolysis of N-Methylformamide | Journal of Physical Chemistry | Journal Article | 1995 |
| Nature of Denaturing Agents - Monte-Carlo Simulations of Bimolecular Complexes Involving Urea and N-Methylacetamide in Aqueous-Solution | Journal of Physical Chemistry | Journal Article | 1995 |
| A Computational Model for the Stereoelectronic Effects of Carboxylate Lone Pairs | Bioorganic Chemistry | Journal Article | 1995 |
| Secondary Deuterium-Isotope Effects on Enolization Reactions - Hyperconjugation Effects and Coupled Hydrogen Motion | Abstracts of Papers of the American Chemical Society | Abstract | 1994 |
| Tautomeric Equilibria of 3-Hydroxypyrazole in the Gas-Phase and in Solution - a Theoretical-Study Combining Ab-Initio Quantum-Mechanics and Monte-Carlo Simulation Methods | Journal of Physical Chemistry | Journal Article | 1994 |
| Ab Initio Study of the Base-Catalyzed-Hydrolysis of Methyl Formate | Journal of Physical Chemistry | Journal Article | 1994 |
| Catalytic-Hydrogenation of [2.2]Paracyclophane - Unsaturated Intermediates | Journal of Organic Chemistry | Journal Article | 1994 |
| Relative Basicities of Carboxylate Lone Pairs in Aqueous-Solution | Journal of Computational Chemistry | Journal Article | 1993 |
| Calculation of Nonlinear-Optical Properties of Pyridinium Cyclopentadienylides | Journal of Physical Organic Chemistry | Journal Article | 1993 |
| Spin Preferences of Conjugated Polyradicals - the Disjoint Nbmo Analysis | Journal of the American Chemical Society | Journal Article | 1992 |
