| 1 |
Solvation and Solid-State Effects on the Structure and Energetics of the Tautomers of Creatinine
Craw JS, Greatbanks SP, Hillier IH, Harrison MJ, Burton NA
Journal of Chemical Physics, 106(16), 6612, 1997 |
| 2 |
Effect of Hydration on the Barrier to Internal-Rotation in Formamide - Quantum-Mechanical Calculations Including Explicit Solvent and Continuum Models
Craw JS, Guest JM, Cooper MD, Burton NA, Hillier IH
Journal of Physical Chemistry, 100(15), 6304, 1996 |
| 3 |
Ab-Initio Quantum-Chemical Calculations on Uranyl Uo22+ Plutonyl Puo22+, and Their Nitrates and Sulfates
Craw JS, Vincent MA, Hillier IH, Wallwork AL
Journal of Physical Chemistry, 99(25), 10181, 1995 |
| 4 |
Solvent Effects on Molecular and Ionic Spectra .4. Photochemistry of Fe2+(H2O)(6) in Water Revisited - Possible Mechanisms for the Primary Absorption Process Leading to Electron Ejection
Zeng J, Craw JS, Hush NS, Reimers JR
Journal of Physical Chemistry, 98(43), 11075, 1994 |
| 5 |
Stretched Molecular-Hydrogen Complexes of Osmium(II) - A Quantum-Chemical Study of the Influence of the Trans Ligand on Geometries, Spin-Spin Coupling-Constants, Bonding, and Charge-Distributions
Craw JS, Bacskay GB, Hush NS
Journal of the American Chemical Society, 116(13), 5937, 1994 |
| 6 |
Comparison of Soliton Geometry and Charge-Density-Wave Structure, and Band-Gaps, Between Odd Polyene and Symmetrical Polymethine Cyanine (Brooker) Ions and T-Polyacetylene-SCF and Model Hamiltonian Approaches with Implications for Molecular Wires and Switches
Reimers JR, Craw JS, Wong A, Bacskay GB, Hush NS
Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, 234, 51, 1993 |
