Liu M, Dana AGrinberg, Johnson MS, Goldman MJ, Jocher A, A. Payne M, Grambow CA, Han K, Yee NW, Mazeau EJ et al..  2021.  Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation. Journal of Chemical Information and Modeling. 61:2686–2696.

Grambow CA, Pattanaik L, Green WH.  2020.  Deep Learning of Activation Energies. Journal of Physical Chemistry Letters. 11:2992-2997.

Scalia G, Grambow CA, Pernici B, Li Y-P, Green WH.  2020.  Evaluating Scalable Uncertainty Estimation Methods for Deep Learning Based Molecular Property Prediction. Journal of Chemical Information and Modeling. 60:2697-2717.

Pattanaik L, Ingraham JB, Grambow CA, Green WH.  2020.  Generating Transition States of Isomerization Reactions with Deep Learning. Physical Chemistry Chemical Physics. 22:23618-23626.

Grambow CA, Pattanaik L, Green WH.  2020.  Reactants, products, and transition states of elementary chemical reactions based on quantum chemistry. Scientific Data. 7:137.

Grambow CA, Li Y-P, Green WH.  2019.  Accurate Thermochemistry with Small Data Sets: A Bond Additivity Correction and Transfer Learning Approach. Journal of Physical Chemistry A. 123:5826-5835.

Li Y-P, Han K, Grambow CA, Green WH.  2019.  Self-Evolving Machine: A Continuously Improving Model for Molecular Thermochemistry. The Journal of Physical Chemistry A. 123:2142-2152.

Han K, Jamal A, Grambow CA, Buras ZJ.  2018.  An Extended Group Additivity Method for Polycyclic Thermochemistry Estimation. International Journal of Chemical Kinetics. 50:294-303.

Grambow CA, Jamal A, Li Y-P, Green WH, Zador J, Suleimanov YV.  2018.  Unexpected Unimolecular Reaction Pathways of a ?-Ketohydroperoxide from Combined Application of Automated Reaction Discovery Methods Journal of the American Chemical Society. 140:1035-1048.