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 |
Photochemical Strain‐Release‐Driven Cyclobutylation of C(sp3)‐Centered Radicals G Ernouf, E Chirkin, L Rhyman, P Ramasami, JC Cintrat Angewandte Chemie 132 (7), 2640-2644, 2020 | 60 | 2020 |
Fluorescent difluoroboron-curcumin analogs: An investigation of the electronic structures and photophysical properties SN Margar, L Rhyman, P Ramasami, N Sekar Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 152, 241-251, 2016 | 50 | 2016 |
Structural and DFT/TD-DFT investigation of tris (bidentate) complexes of rhenium (III) synthesized from the cis-[ReO2]+ core and benzenethiol derivatives KC Potgieter, TIA Gerber, R Betz, L Rhyman, P Ramasami Polyhedron 59, 91-100, 2013 | 43 | 2013 |
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 |
Virtual screening, ADMET profiling, PASS prediction, and bioactivity studies of potential inhibitory roles of alkaloids, phytosterols, and flavonoids against COVID-19 main … M Abdul-Hammed, IO Adedotun, M Olajide, CO Irabor, TI Afolabi, ... Natural Product Research 36 (12), 3110-3116, 2022 | 34 | 2022 |
Nickel (II) and copper (II) complexes of allyl 2-(thiophen-2-ylmethylene) hydrazinecarbodithioate: synthesis, X-ray crystal structures, and theoretical study R Takjoo, R Centore, L Rhyman, P Ramasami Journal of Coordination Chemistry 65 (9), 1569-1579, 2012 | 34 | 2012 |
Ion‐Pair SN2 Substitution: Activation Strain Analyses of Counter‐Ion and Solvent Effects JZA Laloo, L Rhyman, P Ramasami, FM Bickelhaupt, A de Cózar Chemistry–A European Journal 22 (13), 4431-4439, 2016 | 33 | 2016 |
A DFT Study of the [3+ 2] versus [4+ 2] Cycloaddition Reactions of 1, 5, 6-Trimethylpyrazinium-3-olate with Methyl Methacrylate LR Domingo, JA Sáez, JA Joule, L Rhyman, P Ramasami The Journal of Organic Chemistry 78 (4), 1621-1629, 2013 | 32 | 2013 |
“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 | 29 | 2019 |
Photoelectrocatalytic application of palladium decorated zinc oxide-expanded graphite electrode for the removal of 4-nitrophenol: experimental and computational studies EH Umukoro, MG Peleyeju, AO Idris, JC Ngila, N Mabuba, L Rhyman, ... RSC advances 8 (19), 10255-10266, 2018 | 29 | 2018 |
Adsorption of synthetic dyed wastewater using activated carbon from rice husk A Kheddo, L Rhyman, MI Elzagheid, P Jeetah, P Ramasami SN Applied Sciences 2, 1-14, 2020 | 27 | 2020 |
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 |
Synthesis, characterization, antimicrobial screening and computational studies of 4-[3-(4-methoxy-phenyl)-allylideneamino]-1, 5-dimethyl-2-phenyl-1, 2-dihydro-pyrazol-3-one LN Obasi, GU Kaior, L Rhyman, IA Alswaidan, HK Fun, P Ramasami Journal of Molecular Structure 1120, 180-186, 2016 | 25 | 2016 |
Understanding the formation of [3+ 2] and [2+ 4] cycloadducts in the Lewis acid catalysed reaction between methyl glyoxylate oxime and cyclopentadiene: a theoretical study L Rhyman, P Ramasami, JA Joule, JA Sáez, LR Domingo RSC advances 3 (2), 447-457, 2013 | 24 | 2013 |
Synthesis, molecular structure, FT-IR, Raman, XRD and theoretical investigations of (2E)-1-(5-chlorothiophen-2-yl)-3-(naphthalen-2-yl) prop-2-en-1-one CSC Kumar, HK Fun, C Parlak, L Rhyman, P Ramasami, M Tursun, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 132, 174-182, 2014 | 23 | 2014 |
A colorimetric probe for the real-time naked eye detection of cyanide and hydroxide ions in tap water: experimental and theoretical studies V Uahengo, J Naimhwaka, LS Daniel, A Rahman, MI Elzagheid, ... Analyst 144 (21), 6422-6431, 2019 | 22 | 2019 |
Triphenylamine-based fluorescent styryl dyes: DFT, TD-DFT and non-linear optical property study S Katariya, L Rhyman, IA Alswaidan, P Ramasami, N Sekar Journal of fluorescence 27, 993-1007, 2017 | 21 | 2017 |
4-Mercaptophenylboronic acid: Conformation, FT-IR, Raman, OH stretching and theoretical studies C Parlak, P Ramasami, M Tursun, L Rhyman, MF Kaya, N Atar, Ö Alver, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 144, 131-138, 2015 | 21 | 2015 |
Theoretical investigation of the derivatives of favipiravir (T-705) as potential drugs for Ebola virus L Rhyman, M Tursun, HH Abdallah, YS Choong, C Parlak, P Kharkar, ... Physical Sciences Reviews 3 (9), 20170198, 2018 | 20 | 2018 |