Theoretical study of the molecular aspect of the suspected novichok agent A234 of the Skripal poisoning H Bhakhoa, L Rhyman, P Ramasami Royal Society open science 6 (2), 181831, 2019 | 68 | 2019 |
A theoretical study of the hydrolysis mechanism of A-234; the suspected novichok agent in the Skripal attack YA Imrit, H Bhakhoa, T Sergeieva, S Danés, N Savoo, MI Elzagheid, ... RSC advances 10 (47), 27884-27893, 2020 | 38 | 2020 |
“Smart” triiodide compounds: Does halogen bonding influence antimicrobial activities? Z Edis, S Haj Bloukh, H Abu Sara, H Bhakhoa, L Rhyman, P Ramasami Pathogens 8 (4), 182, 2019 | 27 | 2019 |
Aza-macrocyclic complexes of the Group 1 cations–synthesis, structures and density functional theory study J Dyke, W Levason, ME Light, D Pugh, G Reid, H Bhakhoa, P Ramasami, ... Dalton Transactions 44 (31), 13853-13866, 2015 | 27 | 2015 |
NIR-emitting Boradiazaindacene fluorophores-TD-DFT studies on electronic structure and Photophysical properties KG Thorat, H Bhakhoa, P Ramasami, N Sekar Journal of fluorescence 25, 69-78, 2015 | 22 | 2015 |
Sodium Thioether Macrocyclic Chemistry: Remarkable Homoleptic Octathia Coordination to Na+ MJD Champion, JM Dyke, W Levason, ME Light, D Pugh, H Bhakhoa, ... Inorganic Chemistry 54 (6), 2497-2499, 2015 | 13 | 2015 |
Photophysical, electrochemical, and DFT studies of the novel azacrown-bridged dinuclear ruthenium dye sensitizers for solar cells V Uahengo, P Cai, J Naimhwaka, A Rahman, LS Daniel, H Bhakhoa, ... Polyhedron 173, 114106, 2019 | 6 | 2019 |
Theoretical study of the molecular aspect of the suspected novichok agent A234 of the Skripal poisoning. R Soc Open Sci 6: 181831 H Bhakhoa, L Rhyman, P Ramasami | 6 | 2019 |
A theoretical study of the hydrolysis mechanism of A-234; the suspected novichok agent in the Skripal attack. RSC Adv 10: 27884–27893 YA Imrit, H Bhakhoa, T Sergeieva, S Danés, N Savoo, MI Elzagheid, ... | 5 | 2020 |
Copper(I)-catalysed regioselective synthesis of pyrazolo[5,1-c]-1,2,4-triazoles: A DFT mechanistic study D Hallooman, H Bhakhoa, M Ríos-Gutiérrez, L Rhyman, AA Oliferenko, ... Tetrahedron 73 (31), 4653-4662, 2017 | 5 | 2017 |
A study of the Group 1 metal tetra-aza macrocyclic complexes [M (Me 4 cyclen)(L)]+ using electronic structure calculations H Bhakhoa, L Rhyman, EP Lee, DKW Mok, P Ramasami, JM Dyke Dalton Transactions 46 (44), 15301-15310, 2017 | 5 | 2017 |
Can Cyclen Bind Alkali Metal Azides? A DFT Study as a Precursor to Synthesis H Bhakhoa, L Rhyman, EPF Lee, P Ramasami, JM Dyke Chemistry–A European Journal 22 (13), 4469-4482, 2016 | 3 | 2016 |
Research and Innovations in Chemical Science: Paving the Way Forward: Experiences and reflections on the month-long IUPAC-endorsed Virtual Conference on Chemistry and its … L Rhyman, H Bhakhoa, N Savoo, P Ramasami Chemistry International 43 (2), 48-54, 2021 | 1 | 2021 |
Copper (I) Catalyzed [3+ 2] Cycloaddition Reaction with Mechanistic Disparity: A DFT Study H Bhakhoa, L Rhyman, P Ramasami MDPI AG, 2013 | | 2013 |
This is the Pre-Published Version. H Bhakhoa, L Rhyman, EP Lee, DKW Mok, P Ramasami, JM Dyke | | |