Publications

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R. E. Davis, R. Nehring, S. P. Molnar, and L. A. Suba, Displacement Reactions. X. Oxibase Scale Parameters of an Anti Radiation Drug   MEA, Tetrahedron Letters, 9, 985 (1966).

R. E. Davis, S. P. Molnar, and R. Nehring, The Oxibase Scale and Displacement Reactions, XVIII. The Reaction of Mercaptoethylamine with Methyl Iodide and Ethyl Tosylate, J. Am. Chem. Soc., 91, 97 (1969).

Stephen P. Molnar and Milton Orchin, The Synthesis and Infrared Spectra of μ,μ Dichlorobis
[o (N phenylformimidoyl)phenyl] dipalladium (II) and Related Compounds, J. Organometallic Chem., 16, 1969).

Stephen P. Molnar, HMO Theory in the Sophomore Organic Class, J. Chem. Ed., 46, 330 (1969).

Stephen P. Molnar, PPP SCF CI Molecular Orbital Calculations, Q.C.P.E. 314, Quantum Chemistry Program Exchange, Indiana University, Bloomington, Indiana, 1975.

Stephen P. Molnar, Fire Testing in the Context of New Product Development, presented at he Center for Fire Research, National Bureau of Standards, 1977.

Stephen P. Molnar, Thermal Analysis of Polyesters, presented to the Plastics Analysis Division/Chicago Chapter, Society of Plastics Engineers, 1981.

Stephen P. Molnar, DSC Study of Unsaturated Resin Stability, 7th International  Conference on Thermal Analysis, Kingston, Ontario, Canada, 1982.

M. W. Heimerdinger, R. W. Koon, S. Lemke, and S. Molnar, Repair Technology of Thermoplastic Aircraft Structures (REPTAS), 1991.

Stephen P. Molnar, The Effect of Gauge Length on the Lap-Shear Strength of Reinforced Thermoplastic Composite, EWi Research Brief B9103, August 1991.

Stephen P. Molnar, Characterization and Control of Induction Fusion Bonding of Thermoplastic Composites, presented at SPE, 1992 Annual Meeting, Detroit, Michigan, May 1992.

S.P. Molnar and J.W. King.  Structure-pKa Correlation via the Integrated Molecular Transform.  Int. J. Quant. Chem.:  Quant. Biol. Symp. 22, 201-206 (1995).

J.W. King and S.P. Molnar.  The 3-Dimensional Integrated Molecular Transform:  A Unitary Conformational Index, in "Proceedings of the ERDEC Scientific Conference on Chemical and Biological Defense Research,"  D.A. Berg, editor.  ERDEC-SP-043 (ADA 315812).  July 1996.  NCLASSIFIED Report.  pp. 915-922.

S.P. Molnar and J.W. King.  Correlation of Dermal Transport with Structure via the Integrated Molecular Transform. Int. J. Quant. Chem.:  Quant. Biol. Symp. 23, 1845-1849 (1996).  

J.W. King and S.P. Molnar.  A Unitary Numerical Descriptor of Conformation.  J. Mol. Struct. (Theochem) 181-186 (1996).

J.W. King and S.P. Molnar.  Correlation of Organic Diamagnetic Susceptibility with Structure via the Integrated Molecular Transform.  Int. J. Quant. Chem.  64 (5), 635-645 (1997).

S.P. Molnar and J.W. King.  Correlation of Ultraviolet Spectra with Structure via the Integrated Molecular and Electronic Transforms.  Int. J. Quant. Chem., 65 (6), 1047-1056 (1997).  

S.P. Molnar and J.W. King.  Correlation ofDi- and Tripeptide Distribution Coefficients with Structure via Unitary Molecular Indices.  Int. J. Quant. Chem.  69, 49-56 (1998).

S.P. Molnar and J.W. King.  Correlation of Mustard Analogs GC Retention Indices by the Integrated Molecular Transform,  in "Proceedings of the U.S. Army Chemical and Biological Defense Command 9th International Simulant Workshop," J.E. Rhodes, H.L. Cowan, A.L. Skarzenski, J.D. Williams, and P. Coon, editors.  ERDEC-SP-057 (ADA 354661).  May 1998.  UNCLASSIFIED Report.  pp. 109-115.  

S.P. Molnar and J.W. King.  Parametric Transform and Moment Indices in the Molecular Dynamics of n-Alkanes.   Int. J. Quant. Chem., 70, 1185 (1998).

Stephen P. Molnar, The Art of Molecular Dynamics Simulation by D. C. Rapaport, Cambridge University Press, New Your, 1996 reviewed in J. Chem. Ed., 76, 171 (1999).

S.P. Molnar and J.W. King.  Correlation of Mustard Analogs GC Retention Indices by the Integrated Molecular Transform.  Presented at the U.S. Army Chemical and Biological Defense Command 9th International Simulant Workshop, 7-9 March 1995.  Accepted for publication in the Conference Proceedings.

J.W. King and S.P. Molnar.  The 3-Dimensional Integrated Molecular Transform.  Presented at the Gordon Conference on Quantitative Structure-Activity Relationships.  August 1995.

S.P. Molnar and J.W. King.  The 3-Dimensional Integrated Molecular Transform.  Presented at the Chicago National Meeting of the American Chemical Society, 6-11 August 1995.

J.W. King and S.P. Molnar.  The 3-Dimensional Integrated Molecular Transform:  A Unitary Conformational Index.  Presented at the U.S. Army Edgewood RD&E Center Scientific Conference on Chemical and Biological Defense Research.  14-17 November 1995.  
(Accepted for publication in the Conference Proceedings).

S.P. Molnar and J.W. King.  The 3-Dimensional Integrated Molecular Transform:  A Unitary Conformational Index.   Presented at the American Chemical Society Central Regional Meeting, Dayton, OH, 10 June 1996.

J.W. King and S.P. Molnar.  Dermal Transport and Molecular Structure:  Direct Correlation via the Integrated Molecular Transform.  Presented at the 25th National Medicinal Chemistry Symposium, Ann Arbor, MI, 18-22 June 1996.   

J.W. King and S.P. Molnar.  Structural Similarity Indices Generated from the Integrated Molecular Transform or the Normalized Molecular Moment.  Presented at the 2nd National Chemical Information Symposium, Charleston, SC, 14-18 July 1996.  (Paper in preparation for submission for publication).

J.W. King and S.P. Molnar.  Correlation of Organic Diamagnetic Susceptibility with the Integrated Molecular Transform.  Presented at the Workshop on Properties of Molecules in Strong Magnetic Fields.  University of Florida, 24-26 October 1996.  Accepted for publication in the Conference Proceedings in the Int. J. Quant. Chem.

J.W. King and S.P. Molnar.  Correlation of Structure and Ultraviolet Spectra via the Integrated Molecular and Integrated Electronic Transforms.  Presented at the International Quantum Chemistry Symposium (Sanibel Symposium), St. Augustine, FL, 1-7 March 1997, Accepted for inclusion in the Conference Proceedings published in the Int. J. Quant. Chem.

S.P. Molnar and J.W. King.  Direct Correlation of Alkane Structure with GC Retention Indices.  Presented at the Industrial & Engineering Chemistry Conference on Computing in Science and Engineering, Birmingham, AL, 5-7 May 1997.  

J.W. King and S.P. Molnar.  Correlation of Dipeptide Distribution Coefficients with Structure via Unitary Molecular Indices.  Presented at the Conference on Theoretical Chemistry in Biology, Savannah, GA, 3-7 June 1997.

S.P. Molnar and J.W. King.  Parametric Transform and Moment Indices in the Molecular Dynamics of n-Alkanes.  Presented at the International Quantum Chemistry Symposium (Sanibel Symposium), St. Augustine, FL, 21-27 February 1998.

Stephen P. Molnar and James W. King, Quantitative Molecular Similarities in a Series of G-ype Agents:  Implications for Toxicity Relationships, Presented at the U.S. Army Edgewood RD&E Center Scientific Conference on Chemical and Biological Defense Research.   November 1998.  (Accepted for publication in the Conference Proceedings).

Stephen P. Molnar and James W. King,  Surface Area Minimization in Small Peptide Folding, presented at the International Quantum Chemistry Symposium (Sanibel Symposium), St. Augustine, FL, February 1999, Int. J. Quantum Chem., 75, 1043 (1999) .

James W. King and Stephen P. Molnar, Molecular Structural Index Control in Property-directed Clustering and Correlation, presented at the American Chemical Society 31st Central Regional Meeting, Columbus, OH, June 1999.

James W. King and Stephen P. Molnar, Molecular Similarity of Potential Endocrine Disruptors, Zerner Memorial Symposium, University of Florida, November 2000.

Stephen P. Molnar and James W. King, Theory and Applications of the Integrated Molecular Transform and the Normalized Molecular Moment Structure Descriptors: QSAR and QSPR Paradigms, Int. J Quantum Chem., 85, 662 (2001).

James W. King and Stephen P. Molnar, Molecular Similarity of Potential Endocrine Disruptors: Structural Index Control of Pharmacological Clustering, Int. J. Quantum Chem., 92, 85 (2003)

James W. King and Stephen P. Molnar, Electronic and Charge Aspects of Potential Endocrine Disruptors: Application to Pharmacological Clustering, Int. J. Quantum Chem, 95, 365 (2003).

James W. King and Stephen P. Molnar, A Study of Ring-Substituents Influence on Pharmacological Activity  in a Series of Phenethylamine- Psychedelics, Int. J. Quantum Chem., 100, 1114 (2004).

James W. King and Stephen P. Molnar,  Structural Connotations of Bioactivity in a Series of Organophosphinates, Int. J. Quantum Chem., 105, 809 (2005)

Stephen P. Molnar and James W.  King, Docking Parameters of Organophosphorus Compounds with Acetylcholinesterase, Presented at the 46th Sanibel Symposium, February 2006, to be published in the Int J. Quantum Chemistry

Numerous proprietary reports.

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