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RMG Database for Chemical Property Prediction.
Johnson MS, Dong X, Grinberg Dana A, Chung Y, Farina D Jr, Gillis RJ, Liu M, Yee NW, Blondal K, Mazeau E, Grambow CA, Payne AM, Spiekermann KA, Pang HW, Goldsmith CF, West RH, Green WH. Johnson MS, et al. Among authors: grambow ca. J Chem Inf Model. 2022 Oct 24;62(20):4906-4915. doi: 10.1021/acs.jcim.2c00965. Epub 2022 Oct 12. J Chem Inf Model. 2022. PMID: 36222558
Deep Learning of Activation Energies.
Grambow CA, Pattanaik L, Green WH. Grambow CA, et al. J Phys Chem Lett. 2020 Apr 16;11(8):2992-2997. doi: 10.1021/acs.jpclett.0c00500. Epub 2020 Apr 1. J Phys Chem Lett. 2020. PMID: 32216310 Free PMC article.
Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation.
Liu M, Grinberg Dana A, Johnson MS, Goldman MJ, Jocher A, Payne AM, Grambow CA, Han K, Yee NW, Mazeau EJ, Blondal K, West RH, Goldsmith CF, Green WH. Liu M, et al. Among authors: grambow ca. J Chem Inf Model. 2021 Jun 28;61(6):2686-2696. doi: 10.1021/acs.jcim.0c01480. Epub 2021 May 28. J Chem Inf Model. 2021. PMID: 34048230