Green WH - Search Results

1

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: green wh. 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

2

First-principles thermochemistry for the production of TiO2 from TiCl4.

West RH, Beran GJ, Green WH, Kraft M. West RH, et al. Among authors: green wh. J Phys Chem A. 2007 May 10;111(18):3560-5. doi: 10.1021/jp0661950. Epub 2007 Apr 19. J Phys Chem A. 2007. PMID: 17441693

3

Pressure and temperature dependence of the reaction of vinyl radical with ethylene.

Ismail H, Goldsmith CF, Abel PR, Howe PT, Fahr A, Halpern JB, Jusinski LE, Georgievskii Y, Taatjes CA, Green WH. Ismail H, et al. Among authors: green wh. J Phys Chem A. 2007 Jul 26;111(29):6843-51. doi: 10.1021/jp071041l. Epub 2007 Jun 15. J Phys Chem A. 2007. PMID: 17569512

4

Pressure and temperature dependence of the reaction of vinyl radical with alkenes III: measured rates and predicted product distributions for vinyl + butene.

Goldsmith CF, Ismail H, Green WH. Goldsmith CF, et al. Among authors: green wh. J Phys Chem A. 2009 Nov 26;113(47):13357-71. doi: 10.1021/jp9042039. J Phys Chem A. 2009. PMID: 19624112

5

Automatic estimation of pressure-dependent rate coefficients.

Allen JW, Goldsmith CF, Green WH. Allen JW, et al. Among authors: green wh. Phys Chem Chem Phys. 2012 Jan 21;14(3):1131-55. doi: 10.1039/c1cp22765c. Epub 2011 Dec 7. Phys Chem Chem Phys. 2012. PMID: 22146884

6

Role of O2 + QOOH in low-temperature ignition of propane. 1. Temperature and pressure dependent rate coefficients.

Goldsmith CF, Green WH, Klippenstein SJ. Goldsmith CF, et al. Among authors: green wh. J Phys Chem A. 2012 Apr 5;116(13):3325-46. doi: 10.1021/jp210722w. Epub 2012 Mar 26. J Phys Chem A. 2012. PMID: 22250995

7

Database of small molecule thermochemistry for combustion.

Goldsmith CF, Magoon GR, Green WH. Goldsmith CF, et al. Among authors: green wh. J Phys Chem A. 2012 Sep 13;116(36):9033-57. doi: 10.1021/jp303819e. Epub 2012 Aug 29. J Phys Chem A. 2012. PMID: 22873426

8

An extensible framework for capturing solvent effects in computer generated kinetic models.

Jalan A, West RH, Green WH. Jalan A, et al. Among authors: green wh. J Phys Chem B. 2013 Mar 14;117(10):2955-70. doi: 10.1021/jp310824h. Epub 2013 Mar 5. J Phys Chem B. 2013. PMID: 23301874

9

Automatic mechanism generation for pyrolysis of di-tert-butyl sulfide.

Class CA, Liu M, Vandeputte AG, Green WH. Class CA, et al. Among authors: green wh. Phys Chem Chem Phys. 2016 Aug 3;18(31):21651-8. doi: 10.1039/c6cp02202b. Phys Chem Chem Phys. 2016. PMID: 27431650

10

Convolutional Embedding of Attributed Molecular Graphs for Physical Property Prediction.

Coley CW, Barzilay R, Green WH, Jaakkola TS, Jensen KF. Coley CW, et al. Among authors: green wh. J Chem Inf Model. 2017 Aug 28;57(8):1757-1772. doi: 10.1021/acs.jcim.6b00601. Epub 2017 Jul 25. J Chem Inf Model. 2017. PMID: 28696688

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