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Filters applied: . Clear all The following term was not found in PubMed: Srimantoorao
Page 1
Repurposed Antiviral Drugs for Covid-19 - Interim WHO Solidarity Trial Results.
WHO Solidarity Trial Consortium, Pan H, Peto R, Henao-Restrepo AM, Preziosi MP, Sathiyamoorthy V, Abdool Karim Q, Alejandria MM, Hernández García C, Kieny MP, Malekzadeh R, Murthy S, Reddy KS, Roses Periago M, Abi Hanna P, Ader F, Al-Bader AM, Alhasawi A, Allum E, Alotaibi A, Alvarez-Moreno CA, Appadoo S, Asiri A, Aukrust P, Barratt-Due A, Bellani S, Branca M, Cappel-Porter HBC, Cerrato N, Chow TS, Como N, Eustace J, García PJ, Godbole S, Gotuzzo E, Griskevicius L, Hamra R, Hassan M, Hassany M, Hutton D, Irmansyah I, Jancoriene L, Kirwan J, Kumar S, Lennon P, Lopardo G, Lydon P, Magrini N, Maguire T, Manevska S, Manuel O, McGinty S, Medina MT, Mesa Rubio ML, Miranda-Montoya MC, Nel J, Nunes EP, Perola M, Portolés A, Rasmin MR, Raza A, Rees H, Reges PPS, Rogers CA, Salami K, Salvadori MI, Sinani N, Sterne JAC, Stevanovikj M, Tacconelli E, Tikkinen KAO, Trelle S, Zaid H, Røttingen JA, Swaminathan S. WHO Solidarity Trial Consortium, et al. N Engl J Med. 2021 Feb 11;384(6):497-511. doi: 10.1056/NEJMoa2023184. Epub 2020 Dec 2. N Engl J Med. 2021. PMID: 33264556 Free PMC article. Clinical Trial.
Influence of DFT Functionals and Solvation Models on the Prediction of Far-Infrared Spectra of Pt-Based Anticancer Drugs: Why Do Different Complexes Require Different Levels of Theory?
Gwee ESH, Seeger ZL, Appadoo DRT, Wood BR, Izgorodina EI. Gwee ESH, et al. ACS Omega. 2019 Mar 13;4(3):5254-5269. doi: 10.1021/acsomega.8b03455. eCollection 2019 Mar 31. ACS Omega. 2019. PMID: 31459697 Free PMC article.
Geometry optimizations and frequency calculations were performed with a range of functionals (PBE, PBE0, M06-L, and M06-2X), Dunning's correlation-consisted basis sets (VDZ, VTZ, aVDZ, and aVTZ), RECPs (VDZ-pp, VTZ-pp, aVDZ-pp, and aVTZ-pp), and solvation models (IEFPCM, C …
Geometry optimizations and frequency calculations were performed with a range of functionals (PBE, PBE0, M06-L, and M06-2X), Dunning's
The limits of rovibrational analysis: the severely entangled ν1 Polyad vibration of dichlorodifluoromethane in the greenhouse IR window.
Robertson EG, Medcraft C, McNaughton D, Appadoo D. Robertson EG, et al. J Phys Chem A. 2014 Nov 20;118(46):10944-54. doi: 10.1021/jp5087784. Epub 2014 Nov 6. J Phys Chem A. 2014. PMID: 25338023
B3LYP and MP2 anharmonic frequency calculations provide further support. At the MP2/aug-cc-pVTZ level, the root mean square (r.m.s.) error for unscaled anharmonic fundamentals is 6.2 cm(-1), decreased to 1.7 cm(-1) if only considering the seven lowest wavenumber modes, and …
B3LYP and MP2 anharmonic frequency calculations provide further support. At the MP2/aug-cc-pVTZ level, the root mean square (r.m.s.) …