93 citations · 111 across the 3 of their papers we have counts for
3 papers
Dynamical heterogeneities in non-entangled polystyrene and poly(ethylene oxide) star melts
Petra Bačová, Eirini Gkolfi, Laurence G. D. Hawke +1
Star polymers can exhibit a heterogeneous dynamical behavior due to their internal structure. In this work we employ atomistic molecular dynamics simulations to study translational…
Tight-binding parameters for charge transfer along DNA
L. G. D. Hawke, G. Kalosakas, C. Simserides
We systematically examine all the tight-binding parameters pertinent to charge transfer along DNA. The molecular structure of the four DNA bases (adenine, thymine, cytosine, an…
Empirical LCAO parameters for molecular orbitals in planar organic molecules
Laurence Hawke, George Kalosakas, Constantinos Simserides
We present a parametrization within a simplified LCAO model (a type of Hueckel model) for the description of molecular orbitals in organic molecules containing -bonds betwee…