| 1 |
The thermodynamics and biodegradability of chelating agents upon metal extraction
Chauhan G, Stein M, Seidel-Morgenstern A, Pant KK, Nigam KDP
Chemical Engineering Science, 137, 768, 2015 |
| 2 |
Predicting infinite dilution activity coefficients with the group contribution solvation model: an extension of its applicability to aqueous systems
Nanu DE, Mennucci B, de Loos TW
Fluid Phase Equilibria, 221(1-2), 127, 2004 |
| 3 |
Charge flow between ions and a dielectric continuum. 2. Variational method for distributing charge into the dielectric
Gogonea V, Merz KM
Journal of Physical Chemistry B, 104(9), 2117, 2000 |
| 4 |
Quantum calculation of molecular energies and energy gradients in solution by a conductor solvent model
Barone V, Cossi M
Journal of Physical Chemistry A, 102(11), 1995, 1998 |
| 5 |
Solvation effects on zwitterion formation
Hall NE, Smith BJ
Journal of Physical Chemistry A, 102(22), 3985, 1998 |
| 6 |
Partition-Coefficients of Fuel System Icing Inhibitors - Semiempirical Molecular-Orbital Calculations
Trohalaki S, Pachter R
Energy & Fuels, 11(3), 647, 1997 |
| 7 |
(1,2)-Acyloxy Shifts in Radicals - A Computational Investigation of Substituent and Solvent Effects
Zipse H
Journal of the American Chemical Society, 119(5), 1087, 1997 |
| 8 |
Molecular-Dynamics Simulations of Ion Clustering and Conductivity in NaI/Ether Solutions .2. Effect of Ion Concentration
Payne VA, Xu JH, Forsyth M, Ratner MA, Shriver DF, Deleeuw SW
Journal of Chemical Physics, 103(19), 8746, 1995 |
| 9 |
Combined Qm/mm Simulation Study of the Claisen Rearrangement of Allyl Vinyl Ether in Aqueous-Solution
Gao J
Journal of the American Chemical Society, 116(4), 1563, 1994 |
