1 |
A new efficient algorithm to determine three-phase equilibrium conditions in the presence of aqueous phase: Phase stability and computational cost Nazari M, Asadi MB, Zendehboudi S Fluid Phase Equilibria, 486, 139, 2019 |
2 |
Formulating large-scale quantity-quality bilinear data reconciliation problems Kelly JD Computers & Chemical Engineering, 28(3), 357, 2004 |
3 |
Refinements on solvation continuum models: Hydrogen-bond effects on the OH stretch in liquid water and methanol Cappelli C, Mennucci B, da Silva CO, Tomasi J Journal of Chemical Physics, 112(12), 5382, 2000 |
4 |
Reaction field treatment of charge penetration Chipman DM Journal of Chemical Physics, 112(13), 5558, 2000 |
5 |
Characterization of fumed alumina/silica/titania in the gas phase and in aqueous suspension Gun'ko VM, Zarko VI, Turov VV, Leboda R, Chibowski E, Pakhlov EM, Goncharuk EV, Marciniak M, Voronin EF, Chuiko AA Journal of Colloid and Interface Science, 220(2), 302, 1999 |
6 |
A smooth solvation potential based on the conductor-like screening model York DM, Karplus M Journal of Physical Chemistry A, 103(50), 11060, 1999 |
7 |
The Hartree-Fock calculation of the magnetic properties of molecular solutes Cammi R Journal of Chemical Physics, 109(8), 3185, 1998 |
8 |
A General Methodology for Quantum Modeling of Free-Energy Profile of Reactions in Solution - An Application to the Menshutkin Nh3+ch3Cl Reaction in Water Truong TN, Truong TT, Stefanovich EV Journal of Chemical Physics, 107(6), 1881, 1997 |
9 |
Analytical Energy Gradient for the Reference Interaction Site Model Multiconfigurational Self-Consistent-Field Method - Application to 1,2-Difluoroethylene in Aqueous-Solution Sato H, Hirata F, Kato S Journal of Chemical Physics, 105(4), 1546, 1996 |
10 |
An Ab-Initio Study of Solvent Shifts in Vibrational-Spectra Stefanovich EV, Truong TN Journal of Chemical Physics, 105(8), 2961, 1996 |