J. Simon Craw

Ab Initio Quantum Chemical Calculations on Uranyl UO22+, Plutonyl PuO22+, and Their Nitrates and Sulfates

J. Simon Craw, Mark A. Vincent, Ian H. Hillier et al. · The Journal of Physical Chemistry · 1995 · 82 citations

Uranyl Uo22+, Engineering, Chemical Analysis +18

Solitons in finite- and infinite-length negative-defect trans-polyacetylene and the corresponding Brooker (polymethinecyanine) cations. I. Geometry

J. Simon Craw, Jeffrey R. Reimers, George B. Bacskay et al. · Chemical Physics · 1992 · 70 citations

Engineering, Linear Chain Compound, Physics +6

Solitons in finite- and infinite-length negative-defect trans-polyacetylene and the corresponding Brooker (polymethinecyanine) cations. II. Charge density wave

J. Simon Craw, Jeffrey R. Reimers, George B. Bacskay et al. · Chemical Physics · 1992 · 56 citations

Charge Density Wave, Engineering, Physics +12

Solvent effects on molecular spectra. I. Normal pressure and temperature Monte Carlo simulations of the structure of dilute pyrimidine in water

Jun Zeng, J. Simon Craw, Noel S. Hush et al. · The Journal of Chemical Physics · 1993 · 46 citations

Engineering, Computational Chemistry, Chemistry +20

Quantum-chemical studies of hydrogen bonding involving thioxoketones, thienols, thioformaldehyde and hydrogen sulfide with specific reference to the strength of intramolecular hydrogen bonds

J. Simon Craw, George B. Bacskay · Journal of the Chemical Society Faraday Transactions · 1992 · 45 citations

Quantum-chemical Studies, Engineering, Theoretical Inorganic Chemistry +16