Raymond J. Abraham

Publication Activity (10 Years)

Years Active: 1988-2005
Publications (10 Years): 0

Publications

Mehdi Mobli, Raymond J. Abraham
Quantum vs. classical models of the nitro group for proton chemical shift calculations and conformational analysis. J. Comput. Chem. 26 (4) (2005)
Raymond J. Abraham, Guy H. Grant
Charge calculations in molecular mechanics. IX. * A general parameterisation of the scheme for saturated halogen, oxygen and nitrogen compounds. J. Comput. Aided Mol. Des. 6 (3) (1992)
Raymond J. Abraham, Guy H. Grant, Ian S. Haworth, Paul E. Smith
Charge calculations in molecular mechanics. Part 8 Partial atomic charges from classical calculations. J. Comput. Aided Mol. Des. 5 (1) (1991)
S. David Morley, Raymond J. Abraham, Ian S. Haworth, David E. Jackson, Martin R. Saunders, Jeremy G. Vinter
COSMIC(90): An improved molecular mechanics treatment of hydrocarbons and conjugated systems. J. Comput. Aided Mol. Des. 5 (5) (1991)
Raymond J. Abraham, Craig J. Medforth, Paul E. Smith
Conformational analysis. Part 16 Conformational free energies in substituted piperidines and piperidinium salts. J. Comput. Aided Mol. Des. 5 (3) (1991)
Raymond J. Abraham, Ian S. Haworth
Molecular modelling of poly(aryl ether ketones). I. Aryl··aryl interactions in crystal structures. J. Comput. Aided Mol. Des. 4 (3) (1990)
Raymond J. Abraham, Paul E. Smith
Charge calculations in molecular mechanics 7: Application to polar π systems incorporating nitro, cyano, amino, C=S and thio substituents. J. Comput. Aided Mol. Des. 3 (2) (1989)
Raymond J. Abraham, Guy H. Grant
A theoretical study of the Si-O bond in disiloxane and related molecules. J. Comput. Aided Mol. Des. 2 (4) (1989)
Raymond J. Abraham, Ian S. Haworth
A modification to the COSMIC parameterisation using ab initio constrained potential functions. J. Comput. Aided Mol. Des. 2 (2) (1988)