Nathan J. DeYonker - Search Results

Year	Number of Results
2004	1
2005	3
2006	3
2007	4
2008	2
2009	4
2010	1
2011	4
2012	8
2013	4
2014	2
2015	3
2016	4
2017	2
2018	4
2019	5
2020	5
2021	4
2022	3
2023	3
2024	2

1

Computational s-block thermochemistry with the correlation consistent composite approach.

DeYonker NJ, Ho DS, Wilson AK, Cundari TR. DeYonker NJ, et al. J Phys Chem A. 2007 Oct 25;111(42):10776-80. doi: 10.1021/jp0736241. Epub 2007 Oct 3. J Phys Chem A. 2007. PMID: 17914764

2

What a difference a decade has not made: the murky electronic structure of iron monocyanide (FeCN) and iron monoisocyanide (FeNC).

DeYonker NJ. DeYonker NJ. J Phys Chem A. 2015 Jan 8;119(1):215-23. doi: 10.1021/jp5110906. Epub 2014 Dec 26. J Phys Chem A. 2015. PMID: 25495149

3

Quantifying Inter-Residue Contacts through Interaction Energies.

Summers TJ, Daniel BP, Cheng Q, DeYonker NJ. Summers TJ, et al. Among authors: deyonker nj. J Chem Inf Model. 2019 Dec 23;59(12):5034-5044. doi: 10.1021/acs.jcim.9b00804. Epub 2019 Dec 6. J Chem Inf Model. 2019. PMID: 31756092

4

The Glycine N-Methyltransferase Case Study: Another Challenge for QM-Cluster Models?

Cheng Q, DeYonker NJ. Cheng Q, et al. Among authors: deyonker nj. J Phys Chem B. 2023 Nov 2;127(43):9282-9294. doi: 10.1021/acs.jpcb.3c04138. Epub 2023 Oct 23. J Phys Chem B. 2023. PMID: 37870315 Free PMC article.

5

Nitrile regio-synthesis by Ni centers on a siliceous surface: implications in prebiotic chemistry.

Fioroni M, DeYonker NJ. Fioroni M, et al. Among authors: deyonker nj. Chem Commun (Camb). 2022 Oct 13;58(82):11579-11582. doi: 10.1039/d2cc04361k. Chem Commun (Camb). 2022. PMID: 36168891

6

Rovibrational Quantum Chemical Treatment of Inorganic and Organometallic Astrochemicals.

Fortenberry RC, DeYonker NJ. Fortenberry RC, et al. Among authors: deyonker nj. Acc Chem Res. 2021 Jan 19;54(2):271-279. doi: 10.1021/acs.accounts.0c00631. Epub 2020 Dec 24. Acc Chem Res. 2021. PMID: 33356121

7

Cheminformatic quantum mechanical enzyme model design: A catechol-O-methyltransferase case study.

Summers TJ, Cheng Q, Palma MA, Pham DT, Kelso DK 3rd, Webster CE, DeYonker NJ. Summers TJ, et al. Among authors: deyonker nj. Biophys J. 2021 Sep 7;120(17):3577-3587. doi: 10.1016/j.bpj.2021.07.029. Epub 2021 Aug 4. Biophys J. 2021. PMID: 34358526 Free PMC article.

8

A Case Study of the Glycoside Hydrolase Enzyme Mechanism Using an Automated QM-Cluster Model Building Toolkit.

Cheng Q, DeYonker NJ. Cheng Q, et al. Front Chem. 2022 Mar 24;10:854318. doi: 10.3389/fchem.2022.854318. eCollection 2022. Front Chem. 2022. PMID: 35402371 Free PMC article.

9

Acylation and deacylation mechanism and kinetics of penicillin G reaction with Streptomyces R61 DD-peptidase.

Cheng Q, DeYonker NJ. Cheng Q, et al. Among authors: deyonker nj. J Comput Chem. 2020 Jul 5;41(18):1685-1697. doi: 10.1002/jcc.26210. Epub 2020 Apr 23. J Comput Chem. 2020. PMID: 32323874

10

CO₂ Capture by 2-(Methylamino)pyridine Ligated Aluminum Alkyl Complexes.

Yokley TW, Tupkar H, Schley ND, DeYonker NJ, Brewster TP. Yokley TW, et al. Among authors: deyonker nj. Eur J Inorg Chem. 2020 Aug 23;2020(31):2958-2967. doi: 10.1002/ejic.202000437. Epub 2020 May 29. Eur J Inorg Chem. 2020. PMID: 32879618 Free PMC article.

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