Joyce J. Kaufman

发表

Prediction of toxicology and pharmacology based on model toxicophores and pharmacophores using the new TOX‐MATCH–PHARM‐MATCH program

Joyce J. Kaufman, Walter S. Koski, P. C. Hariharan, 2009 .

A new computational strategy for ab-initio MRD-CI calculations for breaking a chemical bond in a molecule in a crystal or other solid environment

Joyce J. Kaufman, P. C. Hariharan, Szczepan Roszak, 1989, Comput. Chem..

Graph theoretical characterization and computer generation of certain carcinogenic benzenoid hydrocarbons and identification of bay regions

Alexandru T. Balaban, Joyce J. Kaufman, Walter S. Koski, 1980 .

Strategy for computer‐generated theoretical and quantum chemical prediction of toxicity and toxicology (and pharmacology in general)

Joyce J. Kaufman, 1981 .

Improved SCF interaction energy decomposition scheme corrected for basis set superposition effect

Joyce J. Kaufman, P. C. Hariharan, Szczepan Roszak, 1983 .

Electrostatic Molecular Potential Contour Maps from Ab-initio Calculations. 1. Biologically Significant Molecules. 2. Mechanism of Cationic Polymerization

Joyce J. Kaufman, P. C. Hariharan, Carlo Petrongolo, 1981 .

New Optimal Strategies for Ab-Initio Quantum Chemical Calculations on Large Drugs, Carcinogens, Teratogens, and Biomolecules

Joyce J. Kaufman, P. C. Hariharan, H. Popkie, 1979 .

Ab initioMODPOT/VRDDO/MERGE calculations on energetic compounds. IV. Nitrocubanes: Mononitro to octanitro quantum chemical calculations and electrostatic molecular potential contour maps

Joyce J. Kaufman, P. C. Hariharan, Alfred H. Lowrey, 1985 .

Library of cumulative atomic multipole moments. I. Nucleic acid bases

Joyce J. Kaufman, P. C. Hariharan, W. A. Sokalski, 1987 .