| 1 |
The application of the effective fragment potential method to molecular anion solvation: A study of ten oxyanion-water clusters, A(-)(H2O)(1-4)
Merrill GN, Webb SP
Journal of Physical Chemistry A, 108(5), 833, 2004 |
| 2 |
Formation of alkali metal/alkaline earth cation water clusters, M(H2O)(1-6), M = Li+, Na+, K+, Mg2+, and Ca2+: An effective fragment potential (EFP) case study
Merrill GN, Webb SP, Bivin DB
Journal of Physical Chemistry A, 107(3), 386, 2003 |
| 3 |
Anion-water clusters A(-)(H2O)(1-6), A = OH, F, SH, Cl, and Br. An effective fragment potential test case
Merrill GN, Webb SP
Journal of Physical Chemistry A, 107(39), 7852, 2003 |
| 4 |
A study of water clusters using the effective fragment potential and Monte Carlo simulated annealing
Day PN, Pachter R, Gordon MS, Merrill GN
Journal of Chemical Physics, 112(5), 2063, 2000 |
| 5 |
On the question of empirical corrections in ab initio model chemistries
Merrill GN, Gordon MS
Journal of Chemical Physics, 110(13), 6154, 1999 |
| 6 |
Study of small water clusters using the effective fragment potential model
Merrill GN, Gordon MS
Journal of Physical Chemistry A, 102(16), 2650, 1998 |
| 7 |
Systematic Study of the Potential-Energy Surface for the Base-Induced Elimination-Reaction of Fluoride-Ion with Ethyl Fluoride Using Density-Functional Theory
Merrill GN, Gronert S, Kass SR
Journal of Physical Chemistry A, 101(2), 208, 1997 |
| 8 |
A high-level ab initio and density functional investigation of cyclopropenyl anion and its mono-, di-, and trisubstituted derivatives
Merrill GN, Kass SR
Journal of the American Chemical Society, 119(50), 12322, 1997 |
| 9 |
Calculated Gas-Phase Acidities Using Density-Functional Theory - Is It Reliable
Merrill GN, Kass SR
Journal of Physical Chemistry, 100(44), 17465, 1996 |
| 10 |
Beta-Cyanoethyl Anion - Lusus Naturae
Merrill GN, Dahlke GD, Kass SR
Journal of the American Chemical Society, 118(18), 4462, 1996 |
