| 1 |
Solvent-Induced Frequency Shifts: Configuration Interaction Singles Combined with the Effective Fragment Potential Method
Arora P, Slipchenko LV, Webb SP, DeFusco A, Gordon MS
Journal of Physical Chemistry A, 114(25), 6742, 2010 |
| 2 |
Poly(acrylate/epoxy) hybrid adhesives for low-surface-energy plastic adhesion
Sonnenschein MF, Webb SP, Cieslinski RC, Wendt BL
Journal of Polymer Science Part A: Polymer Chemistry, 45(6), 989, 2007 |
| 3 |
Physical and chemical probes of the bond strength between trialkylboranes and amines and their utility as stabilized free radical polymerization catalysts
Sonnenschein MF, Webb SP, Redwine OD, Wendt BL, Rondan NG
Macromolecules, 39(7), 2507, 2006 |
| 4 |
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 |
| 5 |
Determinants of the relative reduction potentials of type-1 copper sites in proteins
Li H, Webb SP, Ivanic J, Jensen JH
Journal of the American Chemical Society, 126(25), 8010, 2004 |
| 6 |
Mechanism of trialkylborane promoted adhesion to low surface energy plastics
Sonnenschein MF, Webb SP, Kastl PE, Arriola DJ, Wendt BL, Harrington DR, Rondan NG
Macromolecules, 37(21), 7974, 2004 |
| 7 |
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 |
| 8 |
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 |
| 9 |
Multiconfigurational nuclear-electronic orbital approach: Incorporation of nuclear quantum effects in electronic structure calculations
Webb SP, Iordanov T, Hammes-Schiffer S
Journal of Chemical Physics, 117(9), 4106, 2002 |
| 10 |
Partial multidimensional grid generation method for efficient calculation of nuclear wavefunctions
Iordanov T, Billeter SR, Webb SP, Hammes-Schiffer S
Chemical Physics Letters, 338(4-6), 389, 2001 |
