Cundari TR - Search Results

1

Structural analysis of transition metal beta-X substituent interactions. Toward the use of soft computing methods for catalyst modeling.

Cundari TR, Deng J, Pop HF, Sarbu C. Cundari TR, et al. J Chem Inf Comput Sci. 2000 Jul;40(4):1052-61. doi: 10.1021/ci0000023. J Chem Inf Comput Sci. 2000. PMID: 10955537

2

Modeling intermolecular effects on nonlinear optical properties of transition-metal complexes. An effective core potential study.

Cundari TR, Kurtz HA, Zhou T. Cundari TR, et al. J Chem Inf Comput Sci. 2001 Jan-Feb;41(1):38-42. doi: 10.1021/ci0000530. J Chem Inf Comput Sci. 2001. PMID: 11206380

3

Computational studies of transition metal-main group multiple bonding.

Cundari TR. Cundari TR. Chem Rev. 2000 Feb 9;100(2):807-18. doi: 10.1021/cr980406i. Chem Rev. 2000. PMID: 11749252 No abstract available.

4

Niobium Carbide and Tantalum Carbide as Nitrogen Reduction Electrocatalysts: Catalytic Activity, Carbophilicity, and the Importance of Intermediate Oxidation States.

Alhowity S, Balogun K, Ganesan A, Lund CJ, Omolere O, Adesope Q, Chukwunenye P, Amagbor SC, Anwar F, Altafi MK, D'Souza F, Cundari TR, Kelber JA. Alhowity S, et al. Among authors: cundari tr. ACS Appl Mater Interfaces. 2024 Jan 17;16(2):2180-2192. doi: 10.1021/acsami.3c11683. Epub 2024 Jan 4. ACS Appl Mater Interfaces. 2024. PMID: 38174907

5

Deciphering the Mechanism of Base-Triggered Conversion of Ammonia to Molecular Nitrogen and Methylamine to Cyanide.

Chen CP, Alharbi W, Cundari TR, Hamann TW, Smith MR 3rd. Chen CP, et al. Among authors: cundari tr. J Am Chem Soc. 2023 Dec 6;145(48):26339-26349. doi: 10.1021/jacs.3c09879. Epub 2023 Nov 27. J Am Chem Soc. 2023. PMID: 38011890

6

Nitrene transfer from a sterically confined copper nitrenoid dipyrrin complex.

Carsch KM, North SC, DiMucci IM, Iliescu A, Vojáčková P, Khazanov T, Zheng SL, Cundari TR, Lancaster KM, Betley TA. Carsch KM, et al. Among authors: cundari tr. Chem Sci. 2023 Sep 26;14(39):10847-10860. doi: 10.1039/d3sc03641c. eCollection 2023 Oct 11. Chem Sci. 2023. PMID: 37829016 Free PMC article.

7

Benzimidazole-diamide (bida) Pincer Chromium Complexes: Structures and Reactivity.

Kayser AK, Wolczanski PT, Cundari TR, MacMillan SN, Bollmeyer MM. Kayser AK, et al. Among authors: cundari tr. Inorg Chem. 2023 Sep 25;62(38):15450-15464. doi: 10.1021/acs.inorgchem.3c01771. Epub 2023 Sep 14. Inorg Chem. 2023. PMID: 37707794

8

Stability and activity of titanium oxynitride thin films for the electrocatalytic reduction of nitrogen to ammonia at different pH values.

Chukwunenye P, Ganesan A, Gharaee M, Balogun K, Adesope Q, Amagbor SC, Golden TD, D'Souza F, Cundari TR, Kelber JA. Chukwunenye P, et al. Among authors: cundari tr. Phys Chem Chem Phys. 2023 Jul 26;25(29):19540-19552. doi: 10.1039/d3cp01330h. Phys Chem Chem Phys. 2023. PMID: 37395083

9

On the mechanism of intermolecular nitrogen-atom transfer from a lattice-isolated diruthenium nitride intermediate.

Cosio MN, Alharbi WS, Sur A, Wang CH, Najafian A, Cundari TR, Powers DC. Cosio MN, et al. Among authors: cundari tr. Faraday Discuss. 2023 Aug 11;244(0):154-168. doi: 10.1039/d2fd00167e. Faraday Discuss. 2023. PMID: 37186144

10

Vanadium oxide, vanadium oxynitride, and cobalt oxynitride as electrocatalysts for the nitrogen reduction reaction: a review of recent developments.

Balogun K, Ganesan A, Chukwunenye P, Gharaee M, Adesope Q, Nemšák S, Bagus PS, Cundari TR, D'Souza F, Kelber JA. Balogun K, et al. Among authors: cundari tr. J Phys Condens Matter. 2023 May 22;35(33). doi: 10.1088/1361-648X/acd49d. J Phys Condens Matter. 2023. PMID: 37168004 Review.

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