Transition states in modern valence-bond theory: application to the Cope rearrangement Josep M. Oliva Regular article Pages: 1 - 8
Extension of the platform of applicability of the SM5.42R universal solvation model Jiabo LiTianhai ZhuDonald G. Truhlar Regular article Pages: 9 - 63
A theoretical study of the second band of the photoelectron spectrum of benzene with an analysis of the vibrational structure Kouichi Takeshita Letter Pages: 64 - 69
Expansion coefficients and moments of electron momentum densities for singly charged ions Toshikatsu KogaE. RomeraAjit J. Thakkar Letter Pages: 70 - 76
Using simplified protein representation as a reference potential for all-atom calculations of folding free energy Z. Z. FanJ.-K. HwangA. Warshel Letter Pages: 77 - 80
Transition structures and exo/endo stereoselectivities of concerted [6 + 4] cycloadditions with density functional theory E. GoldsteinBrett R. BenoK. N. Houk Letter Pages: 81 - 84