| 1 |
A theoretical study of the effect of a tetraalkylammonium counterion on the hydrogen bond strength in Z-hydrogen maleate
Bach RD, Dmitrenko O, Glukhovtsev MN
Journal of the American Chemical Society, 123(29), 7134, 2001 |
| 2 |
Influence of electrostatic effects on activation barriers in enzymatic reactions: Pyridoxal 5 '-phosphate-dependent decarboxylation of alpha-amino acids
Bach RD, Canepa C, Glukhovtsev MN
Journal of the American Chemical Society, 121(28), 6542, 1999 |
| 3 |
A high-level computational study on the thermochemistry and thermal decomposition of sulfur mustard (2,2 ＇-dichloroethyl sulfide) : A chemical warfare agent
Glukhovtsev MN, Bach RD, Nagel CJ
Journal of Physical Chemistry A, 102(19), 3438, 1998 |
| 4 |
High-level computational study of the stereoelectronic effects of substituents on alkene epoxidations with peroxyformic acid
Bach RD, Glukhovtsev MN, Gonzalez C
Journal of the American Chemical Society, 120(38), 9902, 1998 |
| 5 |
The nature of the transition structure for the oxidation of alkanes with dioxiranes
Glukhovtsev MN, Canepa C, Bach RD
Journal of the American Chemical Society, 120(40), 10528, 1998 |
| 6 |
On the origin of substrate directing effects in the epoxidation of allyl alcohols with peroxyformic acid
Bach RD, Estevez CM, Winter JE, Glukhovtsev MN
Journal of the American Chemical Society, 120(4), 680, 1998 |
| 7 |
Oxidation of alkenes, sulfides, amines, and phosphines with peroxynitrous acid: Comparison with other oxidants such as peroxyformic acid and dimethyldioxirane
Bach RD, Glukhovtsev MN, Canepa C
Journal of the American Chemical Society, 120(4), 775, 1998 |
| 8 |
Performance of the B3Lyp/ECP DFT Calculations of Iron-Containing Compounds
Glukhovtsev MN, Bach RD, Nagel CJ
Journal of Physical Chemistry A, 101(3), 316, 1997 |
| 9 |
A High-Level Computational Study on the Thermochemistry of Vinyl and Formyl Halides - Heats of Formation, Dissociation-Energies, and Stabilization Energies
Glukhovtsev MN, Bach RD
Journal of Physical Chemistry A, 101(19), 3574, 1997 |
| 10 |
Nature of the transition structure for alkene epoxidation by peroxyformic acid, dioxirane, and dimethyldioxirane: A comparison of B3LYP density functional theory with higher computational levels
Bach RD, Glukhovtsev MN, Gonzalez C, Marquez M, Estevez CM, Baboul AG, Schlegel HB
Journal of Physical Chemistry A, 101(34), 6092, 1997 |
