A. Misquitta

activity

20102026

most citedSimulation study of pressure and temperature dependence of the negative thermal expansion in Zn(CN)

_{2}

67 citations · 285 across the 15 of their papers we have counts for

collaborators

Showing 2013Show all

3 papers · 1 filter

physics.chem-ph2013

Charge-transfer from Regularized Symmetry-Adapted Perturbation Theory

Alston J. Misquitta

The charge-transfer (CT) together with the polarization energy appears at second and higher orders in symmetry-adapted perturbation theory (SAPT). At present there is no theoretica…

cond-mat.mes-hall2013★ 35 cited

Anomalous non-additive dispersion interactions in systems of three one-dimensional wires

Alston J. Misquitta, Ryo Maezono, Neil D. Drummond +2

The non-additive dispersion contribution to the binding energy of three one-dimensional (1D) wires is investigated using wires modelled by (i) chains of hydrogen atoms and (ii) hom…

cond-mat.mtrl-sci2013★ 67 cited

Simulation study of pressure and temperature dependence of the negative thermal expansion in Zn(CN) $_{2}$

Hong Fang, Martin T. Dove, Leila H. N. Rimmer +1

Pressure and temperature dependence of the negative thermal expansion in Zn(CN) $_{2}$ is fully investigated using molecular dynamics simulations with a built potential model. The adv…

Charge-transfer from Regularized Symmetry-Adapted Perturbation Theory

Anomalous non-additive dispersion interactions in systems of three one-dimensional wires

Simulation study of pressure and temperature dependence of the negative thermal expansion in Zn(CN)2​

Simulation study of pressure and temperature dependence of the negative thermal expansion in Zn(CN) $_{2}$