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Assessment of a Cost-Effective Approach to the Calculation of Kinetic and Thermodynamic Properties of Methyl Methacrylate Homopolymerization: A Comprehensive Theoretical Study.
J Chem Theory Comput. 2014 Dec 9;10(12):5668-76. doi: 10.1021/ct500507f.
J Chem Theory Comput. 2014.
PMID: 26583249
Regression formulas for density functional theory calculated 1H and 13C NMR chemical shifts in toluene-d8.
Konstantinov IA, Broadbelt LJ.
Konstantinov IA, et al.
J Phys Chem A. 2011 Nov 10;115(44):12364-72. doi: 10.1021/jp2060975. Epub 2011 Oct 18.
J Phys Chem A. 2011.
PMID: 21966955
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Chemical Recycling of Polyethylene by Tandem Catalytic Conversion to Propylene.
Wang NM, Strong G, DaSilva V, Gao L, Huacuja R, Konstantinov IA, Rosen MS, Nett AJ, Ewart S, Geyer R, Scott SL, Guironnet D.
Wang NM, et al. Among authors: konstantinov ia.
J Am Chem Soc. 2022 Oct 12;144(40):18526-18531. doi: 10.1021/jacs.2c07781. Epub 2022 Sep 30.
J Am Chem Soc. 2022.
PMID: 36178850
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