Zeinalipour-Yazdi CD - Search Results

1

Advanced approaches: general discussion.

Anand M, Beale AM, Boronat M, Bowker M, Bugaev AL, Bukhtiyarov VI, Catlow CRA, Chansai S, Claeys M, Conway M, Davies PR, Edwards J, El-Kadi J, Eremin D, Fischer N, Guan S, Hargreaves JSJ, Hess C, Hutchings GJ, Jameel F, Reza Kamali A, Kondrat S, Lawes N, Lennon D, Li D, Morgan P, Oyarzún Aravena AM, Reece C, Réocreux R, Seavill PW, Sekine Y, Shozi M, Silverwood I, Sinev M, Smith C, Stamatakis M, Torrente Murciano L, Uner D, Weckhuysen BM, Whiston K, Wolf M, Yang B, Zeinalipour-Yazdi CD. Anand M, et al. Among authors: zeinalipour yazdi cd. Faraday Discuss. 2021 May 1;229:378-421. doi: 10.1039/d1fd90032c. Epub 2021 May 19. Faraday Discuss. 2021. PMID: 34008684 No abstract available.

2

The sphere-in-contact model of carbon materials.

Zeinalipour-Yazdi CD, Pullman DP, Catlow CR. Zeinalipour-Yazdi CD, et al. J Mol Model. 2016 Jan;22(1):40. doi: 10.1007/s00894-015-2895-7. Epub 2016 Jan 20. J Mol Model. 2016. PMID: 26791534 Free PMC article.

3

DFT-D3 study of H₂ and N₂ chemisorption over cobalt promoted Ta₃N₅-(100), (010) and (001) surfaces.

Zeinalipour-Yazdi CD, Hargreaves JSJ, Laassiri S, Catlow CRA. Zeinalipour-Yazdi CD, et al. Phys Chem Chem Phys. 2017 May 17;19(19):11968-11974. doi: 10.1039/c7cp00806f. Phys Chem Chem Phys. 2017. PMID: 28440821 Free article.

4

The integration of experiment and computational modelling in heterogeneously catalysed ammonia synthesis over metal nitrides.

Zeinalipour-Yazdi CD , Hargreaves JSJ , Laassiri S , Catlow CRA . Zeinalipour-Yazdi CD , et al. Phys Chem Chem Phys. 2018 Aug 29;20(34):21803-21808. doi: 10.1039/c8cp04216k. Phys Chem Chem Phys. 2018. PMID: 30112528 Free article.

5

An experimental and computational IR and hybrid DFT-D3 study of the conformations of l-lactic and acrylic acid: new insight into the dehydration mechanism of lactic acid to acrylic acid.

Zeinalipour-Yazdi CD, Catlow CRA. Zeinalipour-Yazdi CD, et al. Phys Chem Chem Phys. 2019 Oct 28;21(40):22331-22343. doi: 10.1039/c9cp02968k. Epub 2019 Oct 2. Phys Chem Chem Phys. 2019. PMID: 31576834

6

A Computational Study of the Heterogeneous Synthesis of Hydrazine on Co₃Mo₃N.

Zeinalipour-Yazdi CD, Catlow CRA. Zeinalipour-Yazdi CD, et al. Catal Letters. 2017;147(7):1820-1826. doi: 10.1007/s10562-017-2080-y. Epub 2017 May 24. Catal Letters. 2017. PMID: 32025172 Free PMC article.

7

Combination of theoretical and in situ experimental investigations of the role of lithium dopant in manganese nitride: a two-stage reagent for ammonia synthesis.

Laassiri S, Zeinalipour-Yazdi CD, Bion N, Catlow CRA, Hargreaves JSJ. Laassiri S, et al. Faraday Discuss. 2021 May 1;229:281-296. doi: 10.1039/c9fd00131j. Epub 2021 Mar 17. Faraday Discuss. 2021. PMID: 33729220 Free article.

8

A comparative analysis of the mechanisms of ammonia synthesis on various catalysts using density functional theory.

Zeinalipour-Yazdi CD, Hargreaves JSJ, Laassiri S, Catlow CRA. Zeinalipour-Yazdi CD, et al. R Soc Open Sci. 2021 Nov 3;8(11):210952. doi: 10.1098/rsos.210952. eCollection 2021 Nov. R Soc Open Sci. 2021. PMID: 34737878 Free PMC article. Review.

9

Mechanism of ammonia synthesis on Fe₃Mo₃N.

Higham MD, Zeinalipour-Yazdi CD, Hargreaves JSJ, Catlow CRA. Higham MD, et al. Among authors: zeinalipour yazdi cd. Faraday Discuss. 2023 Jul 19;243(0):77-96. doi: 10.1039/d2fd00148a. Faraday Discuss. 2023. PMID: 37070492 Free article.

10

Correlation of polarizabilities with Van der Waals interactions in pi-systems.

Zeinalipour-Yazdi CD, Pullman DP. Zeinalipour-Yazdi CD, et al. J Phys Chem B. 2006 Nov 30;110(47):24260-5. doi: 10.1021/jp064681h. J Phys Chem B. 2006. PMID: 17125399

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