Application of a dynamic method of minimisation in the study of reaction surfaces Colin M. Smith OriginalPaper Pages: 85 - 99
On the counterpoise correction for the basis set superposition error in large systems J. A. SordoS. ChinT. L. Sordo OriginalPaper Pages: 101 - 110
Graph edge colorings and their chemical applications Krishnan Balasubramanian OriginalPaper Pages: 111 - 122
Tunnelling and reaction path curvature effects in the isomerization of the methoxy radical Susan M. Colwell OriginalPaper Pages: 123 - 135
MINDO/SR calculations of nickel surface properties as a function of hydrogen coverage Fernando RuetteGeorge Blyholder OriginalPaper Pages: 137 - 150
Numerical Hartree-Fock and MCSCF calculations on diatomic copper: calibration of basis sets Harry PartridgeKent W. RichmanE. A. McCullough Jr OriginalPaper Pages: 151 - 155
Effect of the orientation of coordinated water molecules on the electronic structure of trans halo-aquo complexes: application to TiCl2(H2O) 4 + and VCl2(H2O) 4 + M. A. Makhyoun OriginalPaper Pages: 157 - 163
