All Outputs (2)

Efficient correlation-corrected vibrational self-consistent field computation of OH-stretch frequencies using a low-scaling algorithm (2006)
Journal Article
Benoit, D. M. (2006). Efficient correlation-corrected vibrational self-consistent field computation of OH-stretch frequencies using a low-scaling algorithm. The Journal of chemical physics, 125(24), Article 244110. https://doi.org/10.1063/1.2423006

The authors present a new computational scheme to perform accurate and fast direct correlation-corrected vibrational self-consistent field (CC-VSCF) computations for a selected number of vibrational modes, which is aimed at predicting a few vibration... Read More about Efficient correlation-corrected vibrational self-consistent field computation of OH-stretch frequencies using a low-scaling algorithm.

Entanglement transition of randomly branched polymers in the hyperbranched class (2006)
Journal Article
Kunamaneni, S., Buzza, D. M. A., Read, D. J., Parker, D., Kenwright, A. M., Feast, W. J., & Larsen, A. L. (2006). Entanglement transition of randomly branched polymers in the hyperbranched class. Macromolecules, 39(19), 6720-6736. https://doi.org/10.1021/ma0603276

We study the melt rheology of randomly branched polymers in the hyperbranched polymer (HBP) class which are formed by the co-condensation of AB and AB2 type monomers. Specifically, we study the effect of branch length Mx on the entanglement transitio... Read More about Entanglement transition of randomly branched polymers in the hyperbranched class.