Structural Chemistry

Introduction
pp. 103-103(1)
Author: Leszczynski J.

Molecular Dynamics Simulations of Energetic Solids
pp. 105-113(9)
Authors: Politzer P.; Boyd S.

An Ab Initio Molecular Orbital Theory and Density Functional Theory (DFT) Study of Conformers and Rotamers of 4-Substituted (Methyl, Hydroxymethyl, Methanoyl, Ethanoyl, Cyano, Fluoro, Chloro, Bromo, Acetoxy) Tetrahydro-2H-thiopyran-1,1-dioxides
pp. 115-131(17)
Authors: Freeman F.; Gomarooni F.; Hehre W.J.

cis-Diamminodichloronickel and Its Interaction with Guanine and Guanine–Cytosine Base Pair
pp. 133-140(8)
Authors: Cochran K.; Forde G.; Hill G.A.; Gorb L.; Leszczynski J.

Theoretical Evidence of Aromaticity in X_3^− (X = B, Al, Ga) Species
pp. 141-148(8)
Authors: Kuznetsov A.E.; Boldyrev A.I.

A Computational Study of Conformers of 2-Thiaoxacyclohexane (1,2-Oxathiane)
pp. 149-160(12)
Authors: Freeman F.; Lee K.; Hehre W.J.

Electrophoretic Deposition of Chain Macromolecules: Conformation and Density Profiles, Roughening, and Deroughening
pp. 161-163(3)
Author: Pandey R.B.

Singlet Nitric Oxide Dimer Revisited: An Unexpected High Stability Isomer
pp. 165-172(8)
Authors: Magers D.H.; Qiong H.; Leszczyski J.

Geometric and Electronic Structure of WSi_N(N = 1–6, 12) Clusters
pp. 173-191(19)
Authors: Han J-G.; Xiao C.; Hagelberg F.

Exhaustive Enumeration of the Effects of Point Charge Mutations on the Electrostatically Driven Association of Hemoglobin Subunits, Using Weighted-Ensemble Brownian Dynamics Simulations
pp. 193-202(10)
Authors: Fisher E.W.; Rojnuckarin A.; Kim S.

Model Calculations of Radiation-Induced Damage in 1-Methyluracil:9-Ethyladenine
pp. 203-209(7)
Authors: Chen Y.; Close D.

Book Reviews
pp. 211-212(2)
Authors: Mackay A.L.; Hargittai M.