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Exposure Research

Records 1 to 24 of 24
2014
Whelan, G., E. Weber, C. Stevens, M. Pelton, K. Wolfe, R. Parmar, M. Galvin, S. Hilal, AND J. Babendreier. A Chemical Properties Simulator to Support Integrated Environmental Modeling. Presented at th International Congress on Environmental Modelling and Software (iEMSs), San Diego, CA, June 15 - 19, 2014.
Whelan, G., E. Weber, C. Stevens, M. Pelton, K. Wolfe, R. Parmar, M. Galvin, S. Hilal, AND J. Babendreier. A Chemical Properties Simulator to Support Integrated Environmental Modeling (proceeding). In Proceedings, 7th International Congress on Environmental Modelling and Software (iEMSs), San Diego, CA, June 15 - 19, 2014. International Environmental Modelling and Software Society, Manno, Switzerland, online, (2014).
Hilal, S., A. Saravanaraj, AND L. Carreira. Development of Monopole Interaction Models for Ionic Compounds. Part I: Estimation of Aqueous Henry’s Law Constants for Ions and Gas Phase pKa Values for Acidic Compounds. Molecular Informatics. Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany, 33(2):92-103, (2014).
2009
HILAL, S. H. AND L. A. Carreira. Estimation of Physical Properties and Chemical Reactivity Parameters of Organic Compounds for Environmental Modeling by SPARC. Presented at SETAC Europe 19th Annual Meeting, Goteborg, SWEDEN, May 31 - June 04, 2009.
2008
HILAL, S. H., S. N. Ayyampalayam, AND L. A. Carreira. Air-Liquid Partition Coefficient for a Diverse Set of Organic Compounds: Henry’s Law Constant in Water and Hexadecane. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, 42(24):9231-9236, (2008).
Ayyampalayam, S. N., S. H. HILAL, AND L. Carreira. Calculating Henry’s Constants of Charged Molecules Using SPARC. Presented at 236th ACS National Meeting & Exposition, Philadelphia, PA, August 17 - 21, 2008.
HILAL, S. H., A. N. Saravanaraj, AND L. A. Carreira. Estimation of Henry's Law Constant for a Diverse Set of Organic Compounds from Molecular Structure. Presented at 236th ACS National Meeting & Exposition, Philadelphia, PA, August 17 - 21, 2008.
2007
HILAL, S. H., A. N. SARAVANARAJ, T. WHITESIDE, AND L. A. CARREIRA. CALCULATING PHYSICAL PROPERTIES OF ORGANIC COMPOUNDS FOR ENVIRONMENTAL MODELING FROM MOLECULAR STRUCTURE. Journal of Computer-Aided Molecular Design. Springer, New York, NY, 21(12):693-708, (2007).
CARREIRA, L. A., T. S. WHITESIDE, S. N. AYYAMPALAYAM, AND S. H. HILAL. CALCULATING PHYSICOCHEMICAL PROPERTIES FOR ENVIRONMENTAL MODELING USING SPARC. Presented at International Science Forum on Computational Toxicology, Research Triangle Park, NC, May 21 - 23, 2007.
WHITESIDE, T. S., S. H. HILAL, AND L. A. CARREIRA. ESTIMATION OF PHOSPHATE ESTER HYDROLYSIS RATE CONSTANTS. II. ACID AND GENERAL BASE CATALYZED HYDROLYSIS. QSAR & COMBINATORIAL SCIENCE. John Wiley & Sons, Ltd., Indianapolis, IN, 26(5):587-595, (2007).
2006
HILAL, S. H., L. A. CARREIRA, T. WHITESIDE, AND A. N. SARAVANARAJ. CALCULATION OF PHYSICOCHEMICAL PROPERTIES FOR ENVIRONMENTAL MODELING. Presented at American Chemical Society Meeting, San Francisco, CA, September 10 - 14, 2006.
HILAL, S. H. ESTIMATION OF HYDROLYSIS RATE CONSTANTS OF CARBOXYLIC ACID ESTER AND PHOSPHATE ESTER COMPOUNDS IN AQUEOUS SYSTEMS FROM MOLECULAR STRUCTURE BY SPARC. U.S. Environmental Protection Agency, Washington, DC, EPA/600/R-06/105 (NTIS PB2007-100142), 2006.
WHITESIDE, T. S., S. H. HILAL, AND L. A. CARREIRA. ESTIMATION OF PHOSPHATE ESTER HYDROLYSIS RATE CONSTANTS - ALKALINE HYDROLYSIS. Presented at American Chemical Society National Meeting, Atlanta, GA, March 26 - 30, 2006.
WHITESIDE, T. S., S. H. HILAL, AND L. A. CARREIRA. ESTIMATION OF PHOSPHATE ESTER HYDROLYSIS RATE CONSTANTS. I. ALKALINE HYDROLYSIS. QSAR & COMBINATORIAL SCIENCE. John Wiley & Sons, Ltd., Indianapolis, IN, 25(2):123-133, (2006).
HILAL, S. H. AND L. A. CARREIRA. ESTIMATION OF PHYSICAL PROPERTIES AND CHEMICAL REACTIVITY PARAMETERS OF ORGANIC COMPOUNDS. Presented at 2nd Knoxville Workshop on Reactive Toxicity, Knoxville, TN, April 01 - 04, 2006.
CARREIRA, L. A., T. S. WHITESIDE, A. N. SARAVANARAJ, AND S. H. HILAL. PHYSICOCHEMICAL PROPERTY CALCULATIONS. Presented at American Chemical Society Meeting, San Francisco, CA, September 10 - 14, 2006.
2005
COLLETTE, T. W., D. COLON, S. H. HILAL, W. J. JONES, J. F. KENNEKE, C. S. MAZUR, C. T. STEVENS, P. WINGET, K. L. WOLFE, AND E. J. WEBER. Development of Environmental Fate and Metabolic Simulators. Presented at Bioinformatics Open Source Conference (BOSC), Detroit, MI, June 23 - 24, 2005.
2004
Hilal, S H., S W. Karickhoff, L. A. Carreira, AND B. P. Shrestha. ESTIMATION OF CARBOXYLIC ACID ESTER HYDROLYSIS RATE CONSTANTS. QSAR & COMBINATORIAL SCIENCE 22(9/10):917-925, (2004).
Hilal, S H., S W. Karickhoff, AND L. A. Carreira. PREDICTION OF THE SOLUBILITY, ACTIVITY COEFFICIENT AND LIQUID/LIQUID PARTITION COEFFICIENT OF ORGANIC COMPOUNDS. QSAR & COMBINATORIAL SCIENCE 23(9):709-720, (2004).
2003
Hilal, S H., L. A. Carreira, AND S W. Karickhoff. ESTIMATION OF PHYSIOCHEMICAL PROPERTIES OF ORGANIC COMPOUNDS BY SPARC. Presented at 225th American Chemical Society National Meeting, New Orleans, LA, March 23-27, 2003.
Hilal, S H. PREDICTION OF CHEMICAL REACTIVITY PARAMETERS AND PHYSICAL PROPERTIES OF ORGANIC COMPOUNDS FROM MOLECULAR STRUCTURE USING SPARC. U.S. Environmental Protection Agency, Washington, D.C., EPA/600/R-03/030 (NTIS PB2004-101167), 2003.
Hilal, S H. AND L. A. Carreira. PREDICTION OF PHYSICOCHEMICAL PROCESSES FOR ENVIRONMENTAL MODELING BY COMPUTER. Presented at 226th American Chemical Society National Meeting, New York, NY, September 7-11, 2003.
Hilal, S H., S W. Karickhoff, AND L. A. Carreira. PREDICTION OF THE VAPOR PRESSURE, BOILING POINT, HEAT OF VAPORIZATION AND DIFFUSION COEFFICIENT OF ORGANIC COMPOUNDS. QSAR & COMBINATORIAL SCIENCE 22(6):565-574, (2003).
Hilal, S H. VERIFICATION AND VALIDATION OF THE SPARC MODEL. U.S. Environmental Protection Agency, Washington, D.C., EPA/600/R-03/033 (NTIS PB2004-101168), 2003.


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