검색결과 : 6건
| No. | Article |
|---|---|
| 1 |
Multiscale molecular simulations of the formation and structure of polyamide membranes created by interfacial polymerization Muscatello J, Muller EA, Mostofi AA, Sutton AP Journal of Membrane Science, 527, 180, 2017 |
| 2 |
Molecular Simulation of Gas Solubility in Nitrile Butadiene Rubber Khawaja M, Sutton AP, Mostofi AA Journal of Physical Chemistry B, 121(1), 287, 2017 |
| 3 |
Molecular Model for HNBR with Tunable Cross-Link Density Molinari N, Khawaja M, Sutton AP, Mostofi AA Journal of Physical Chemistry B, 120(49), 12700, 2016 |
| 4 |
Symmetry Switching of Negative Thermal Expansion by Chemical Control Senn MS, Murray CA, Luo X, Wang L, Huang FT, Cheong SW, Bombardi A, Ablitt C, Mostofi AA, Bristowe NC Journal of the American Chemical Society, 138(17), 5479, 2016 |
| 5 |
Elimination of basis set superposition error in linear-scaling density-functional calculations with local orbitals optimised in situ Haynes PD, Skylaris CK, Mostofi AA, Payne MC Chemical Physics Letters, 422(4-6), 345, 2006 |
| 6 |
Preconditioned iterative minimization for linear-scaling electronic structure calculations Mostofi AA, Haynes PD, Skylaris CK, Payne MC Journal of Chemical Physics, 119(17), 8842, 2003 |