[1] B. Nutho, P. Mahalapbutr, K. Hengphasatporn, N.C. Pattaranggoon, N. Simanon, Y. Shigeta, S. Hannongbua, T. Rungrotmongkol, Why are lopinavir and ritonavir effective against the newly emerged coronavirus 2019? Atomistic insights into the inhibitory mechanisms, Biochemistry. 59 (2020) 1769–1779. doi:10.1021/acs.biochem.0c00160.

[2] N. Yodsin, C. Rungnim, S. Tungkamani, V. Promarak, S. Namuangruk, S. Jungsuttiwong, DFT Study of Catalytic CO2 Hydrogenation over Pt-Decorated Carbon Nanocones: H2 Dissociation Combined with the Spillover Mechanism, J. Phys. Chem. C. 124 (2020) 1941–1949. doi:10.1021/acs.jpcc.9b08776.

[3] A. Ngoipala, L. Ngamwongwan, I. Fongkaew, S. Jungthawan, P. Hirunsit, S. Limpijumnong, S. Suthirakun, On the Enhanced Reducibility and Charge Transport Properties of Phosphorus-Doped BiVO4 as Photocatalysts: A Computational Study, J. Phys. Chem. C. 124 (2020) 4352–4362. doi:10.1021/acs.jpcc.9b09909.

[4] S. Thongratkaew, C. Luadthong, S. Kiatphuengporn, P. Khemthong, P. Hirunsit, K. Faungnawakij, Cu-Al spinel-oxide catalysts for selective hydrogenation of furfural to furfuryl alcohol, Catal. Today. (2020). doi:10.1016/j.cattod.2020.04.066.

[5] S. Impeng, T. Roongcharoen, P. Maitarad, H. Wu, C. Chitpakdee, V. Promarak, L. Shi, S. Namuangruk, High selective catalyst for ethylene epoxidation to ethylene oxide: A DFT investigation, Appl. Surf. Sci. 513 (2020). doi:10.1016/j.apsusc.2020.145799.

[6] D. Sompornpailin, C. Ratanatawanate, C. Sattayanon, S. Namuangruk, P. Punyapalakul, Selective adsorption mechanisms of pharmaceuticals on benzene-1,4-dicarboxylic acid-based MOFs: Effects of a flexible framework, adsorptive interactions and the DFT study, Sci. Total Environ. 720 (2020). doi:10.1016/j.scitotenv.2020.137449.

[7] P. Maitarad, A. Junkaew, V. Promarak, L. Shi, S. Namuangruk, Complete catalytic cycle of NO decomposition on a silicon-doped nitrogen-coordinated graphene: Mechanistic insight from a DFT study, Appl. Surf. Sci. 508 (2020). doi:10.1016/j.apsusc.2020.145255.

[8] T. Roongcharoen, S. Impeng, N. Kungwan, S. Namuangruk, Revealing the effect of N-content in Fe doped graphene on its catalytic performance for direct oxidation of methane to methanol, Appl. Surf. Sci. 527 (2020). doi:10.1016/j.apsusc.2020.146833.

[9] P. Phonsuksawang, P. Khajondetchairit, T. Butburee, S. Sattayaporn, N. Chanlek, P. Hirunsit, S. Suthirakun, T. Siritanon, Effects of Fe doping on enhancing electrochemical properties of NiCo2S4 supercapacitor electrode, Electrochim. Acta. 340 (2020) 135939. doi:10.1016/j.electacta.2020.135939.

[10] R. Salaeh, K. Faungnawakij, N. Kungwan, P. Hirunsit, The Role of Metal Species on Aldehyde Hydrogenation over Co13 and Ni13 Supported on γ-Al2O3 110) Surfaces: A Theoretical Study, ChemistrySelect. 5 (2020) 4058–4068. doi:10.1002/slct.202000324.

[11] J. Nootem, C. Sattayanon, S. Namuangruk, P. Rashatasakhon, W. Wattanathana, G. Tumcharern, K. Chansaenpak, Solvatochromic triazaborolopyridinium probes toward ultra-sensitive trace water detection in organic solvents, Dye. Pigment. 181 (2020). doi:10.1016/j.dyepig.2020.108554.

[12] Y. Wongnongwa, S. Jungsuttiwong, M. Pimsuta, P. Khemthong, M. Kunaseth, Mechanistic and thermodynamic insights into the deoxygenation of palm oils using Ni2P catalyst: A combined experimental and theoretical study, Chem. Eng. J. 399 (2020). doi:10.1016/j.cej.2020.125586.



[1] P. Reangchim, T. Saelee, V. Itthibenchapong, A. Junkaew, N. Chanlek, A. Eiad-ua, N. Kungwan, K. Faungnawakij, Role of Sn promoter in Ni/Al 2 O 3 catalyst for the deoxygenation of stearic acid and coke formation: experimental and theoretical studies, Catal. Sci. Technol. 9 (2019) 3361–3372. doi:10.1039/C9CY00268E.

[2] P. Watthaisong, S. Jungthawan, P. Hirunsit, S. Suthirakun, Transport properties of electron small polarons in a V2O5 cathode of Li-ion batteries: A computational study, RSC Adv. 9 (2019) 19483–19494. doi:10.1039/c9ra02923k.