| 1 |
United atom force field for molecular dynamics simulations of 1,4-polybutadine based on quantum chemistry calculations on model molecules
Smith GD, Paul W
Journal of Physical Chemistry A, 102(7), 1200, 1998 |
| 2 |
Control of Carbene Reactivity by Crystals - A Highly Selective 1,2-H Shift in the Solid-to-Solid Reaction of 1-(4’-Biphenylyl)-2-Phenyldiazopropane to (Z)-1-(4’-Biphenylyl)-2-Phenylpropene
Shin SH, Cizmeciyan D, Keating AE, Khan SI, Garciagaribay MA
Journal of the American Chemical Society, 119(8), 1859, 1997 |
| 3 |
Ab-Initio Study of Torsional Potentials in 2,2’-Bithiophene and 3,4’-Dimethyl-2,2’-Bithiophehene and 3,3’-Dimethyl-2,2’-Bithiophene as Models of the Backbone Flexibility in Polythiophene and Poly(3-Methylthiophene)
Hernandez V, Navarrete JT
Journal of Chemical Physics, 101(2), 1369, 1994 |
| 4 |
Toward a Better Understanding of Covalent Bonds - The Molecular Mechanics Calculation of C-H Bond Lengths and Stretching Frequencies
Thomas HD, Chen KH, Allinger NL
Journal of the American Chemical Society, 116(13), 5887, 1994 |
| 5 |
Kinetic Versus Thermodynamic Control in the Deprotonation of Unsymmetrical Ketones in the Gas-Phase
Chyall LJ, Brickhouse MD, Schnute ME, Squires RR
Journal of the American Chemical Society, 116(19), 8681, 1994 |
