Yu J, Sumathi R, Green WH.  2006.  Accurate and Efficient Estimation Method for Predicting the Thermochemistry of Furans and ortho-Arynes – Expansion of the Bond-Centered Group Additivity Method. Journal of Physical Chemistry A. 110:6971-6977.

Sullivan PA, Sumathi R, Green WH, Tester JW.  2004.  Ab initio modeling of Organophosphorus Combustion Chemistry. Physical Chemistry Chemical Physics. 6:4296-4309.

Yu J, Sumathi R, Green WH.  2004.  Accurate and Efficient Method for Predicting Thermochemistry of Polycyclic Aromatic Hydrocarbons. Journal of the American Chemical Society. 126:12685-12700.

Green WH, Wijaya CD, Yelvington PE, Sumathi R.  2004.  Predicting Chemical Kinetics with Computational Chemistry: Is QOOH = HOQO Important in Fuel Ignition? Molecular Physics. 102:371.

Wijaya CD, Sumathi R, Green, Jr. WH.  2003.  Cyclic Ether Formation from Hydroperoxyalkyl Radicals (QOOH). Journal of Physical Chemistry A. 107:4908-4920.

Song J, Sumathi R, Yu J, Wijaya CD, Stephanopoulos G, Green, Jr. WH.  2003.  Development of automatic chemical reaction mechanism generation software using object-oriented technology.

Sumathi R, Green, Jr. WH.  2003.  Oxygenate, Oxyalkyl, and Alkoxycarbonyl Thermochemistry and Rates for Hydrogen Abstraction from Oxygenates. Physical Chemistry Chemical Physics. 5:3402-3417.

Sumathi R, Green, Jr. WH.  2002.  JThermodynamic Properties of Ketenes: Group Additivity Values from Quantum Chemical Calculations. Journal of Physical Chemistry A. 106:7937-7949.

Sumathi R, Green, Jr. WH.  2002.  Missing thermochemical groups for large unsaturated hydrocarbons: Contrasting predictions of G2 and CBS-Q. Journal of Physical Chemistry A. 106:11141-11149.

Sumathi R, Green, Jr. WH.  2002.  A priori Rate Constants for Kinetic Modeling. Theoretical Chemistry Accounts. 108:187-213.

Sumathi R, Carstensen H-H, Green, Jr. WH.  2002.  Reaction Rate Prediction via Group Additivity Part 3: Effect of Substituents with CH2 as the Mediator. Journal of Physical Chemistry A. 106:5474-5489.

Green WH, Barton PI, Bhattacharjee B, Matheu DM, Schwer DA, Song J, Sumathi R, Carstensen H-H, Dean AM, Grenda JM.  2001.  Computer-Construction of Detailed Models for Gas-Phase Reactors. Industrial & Engineering Chemistry Research. 40:5362-5370.

Richter H, Mazyar OA, Sumathi R, Green WH, Howard JB, Bozzelli JW.  2001.  Detailed Kinetic Study of the Growth of Small Polycyclic Aromatic Hydrocarbons. I. 1-Naphthyl + Ethyne. Journal of Physical Chemistry A. 105:1561-73.

Sumathi R, Carstensen H-H, Green WH.  2001.  Jr. "Reaction Rate Prediction via Group Additivity, Part 1: H Abstraction from Alkanes by H and CH3". Journal of Physical Chemistry A. 105:6910-6925.

Sumathi R, Carstensen H-H, Green WH.  2001.  Reaction Rate Prediction via Group Additivity, Part 2: H Abstraction from Alkenes, Alkynes, Alcohols and Acids by H atoms. Journal of Physical Chemistry A. 105:8969-8984.