Nathaniel O. J. Malcolm

A variational biorthogonal valence bond method

Joseph J. W. McDouall, Nathaniel O. J. Malcolm, J. McDouall, 1994, J. Comput. Chem..

An algorithm to delineate and integrate topological basins in a three‐dimensional quantum mechanical density function

Nathaniel O. J. Malcolm, Paul L. A. Popelier, P. Popelier, 2003, J. Comput. Chem..

Variational biorthogonal valence bond descriptions of 1,3‐dipoles

Joseph J. W. McDouall, Nathaniel O. J. Malcolm, J. McDouall, 1994, Journal of Computational Chemistry.

An improved algorithm to locate critical points in a 3D scalar field as implemented in the program MORPHY

Nathaniel O. J. Malcolm, Paul L. A. Popelier, P. Popelier, 2003, J. Comput. Chem..

Cooperative effects in the structuring of fluoride water clusters: Ab initio hybrid quantum mechanical/molecular mechanical model incorporating polarizable fluctuating charge solvent

Nathaniel O. J. Malcolm, Richard A. Bryce, Mark A. Vincent, 1998 .