Structural optimization of molecular clusters with density functional theory combined with basin hopping

by Do, Hainam, Besley, Nicholas A.
Published 2012

Structure and bonding in ionized water clusters

by Do, Hainam, Besley, Nicholas A.
Published 2013

Theoretical study of the electronic spectra of small molecules that incorporate analogues of the copper-cysteine bond

by Do, Hainam, Besley, Nicholas A.
Published 2012

Proton transfer or hemibonding? The structure and stability of radical cation clusters

by Do, Hainam, Besley, Nicholas A.
Published 2013

Calculation of the vibrational frequencies of carbon clusters and fullerenes with empirical potentials

by Do, Hainam, Besley, Nicholas A.
Published 2014

Computational study of the structure and electronic circular dichroism spectroscopy of blue copper proteins

by Do, Hainam, Deeth, Robert J., Besley, Nicholas A.
Published 2013

Calculation of high-order virial coefficients for the square-well potential

by Do, Hainam, Feng, Chao, Schultz, Andrew J., Kofke, David A., Wheatley, Richard J.
Published 2016