Convergence issues in derivatives of Monte Carlo null-collision integral formulations: a solution

Autor: Tregan, J-M, Blanco, S., Dauchet, J., Hafi, M, Fournier, R., Ibarrart, L, Lapeyre, P, Villefranque, N

When a Monte Carlo algorithm is used to evaluate a physical observable A, it is possible to slightly modify the algorithm so that it evaluates simultaneously A and the derivatives $\partial$ $\varsigma$ A of A with respect to each problem-parameter $

Externí odkaz: http://arxiv.org/abs/1903.06508

Synthesis of New Pyrazolo[3,4- d ]pyrimidine Derivatives: NMR Spectroscopic Characterization, X-Ray, Hirshfeld Surface Analysis, DFT, Molecular Docking, and Antiproliferative Activity Investigations.

Autor: El Hafi M; Faculty of Medicine and Pharmacy, Mohammed First University, Oujda 60000, Morocco.; Laboratory of Heterocyclic Organic Chemistry, Department of Chemistry, Faculty of Sciences, Mohammed V University in Rabat, Rabat 10106, Morocco., Anouar EH; Department of Chemistry, College of Science and Humanities in Al-Kharj, Prince Sattam bin Abdulaziz University, Al-Kharj 11942, Saudi Arabia., Lahmidi S; Laboratory of Heterocyclic Organic Chemistry, Department of Chemistry, Faculty of Sciences, Mohammed V University in Rabat, Rabat 10106, Morocco., Boulhaoua M; Laboratory of Heterocyclic Organic Chemistry, Department of Chemistry, Faculty of Sciences, Mohammed V University in Rabat, Rabat 10106, Morocco.; Institute of Chemistry, ELTE Eötvös Loránd University, Pázmány P. sétány 1/A, 1117 Budapest, Hungary., Loubidi M; Department of Chemistry, Faculty of Sciences Semlalia, Cadi Ayyad University, Marrakech 40000, Morocco., Alanazi AS; Department of Pharmaceutical Sciences, College of Pharmacy, Princess Nourah bint Abdulrahman University, Riyadh 11671, Saudi Arabia., Filali I; Department of Chemistry, College of Science and Humanities in Al-Kharj, Prince Sattam bin Abdulaziz University, Al-Kharj 11942, Saudi Arabia., Hefnawy M; Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh 11451, Saudi Arabia., El Ghayati L; Laboratory of Heterocyclic Organic Chemistry, Department of Chemistry, Faculty of Sciences, Mohammed V University in Rabat, Rabat 10106, Morocco., Mague JT; Department of Chemistry, Tulane University, New Orleans, LA 70118, USA., Essassi EM; Laboratory of Heterocyclic Organic Chemistry, Department of Chemistry, Faculty of Sciences, Mohammed V University in Rabat, Rabat 10106, Morocco.

Publikováno v: Molecules (Basel, Switzerland) [Molecules] 2024 Oct 24; Vol. 29 (21). Date of Electronic Publication: 2024 Oct 24.

Monte-Carlo and sensitivity transport models for domain deformation

Autor: Lapeyre, P., Blanco, S., Caliot, C., Dauchet, J., El Hafi, M., Fournier, R., Farges, O., Gautrais, J., Roger, M.

Publikováno v: In Journal of Quantitative Spectroscopy and Radiative Transfer August 2020 251

Crystal structure determination and analyses of Hirshfeld surface, crystal voids, inter-molecular inter-action energies and energy frameworks of 1-benzyl-4-(methyl-sulfan-yl)-3a,7a-di-hydro-1 H -pyrazolo-[3,4- d ]pyrimidine.

Autor: Mustaphi NEH; Organic Chemistry Catalysis and Environmental Laboratory Higher National School of Chemistry Ibn Tofail University Kenitra Morocco., Chlouchi A; Organic Chemistry Catalysis and Environmental Laboratory Higher National School of Chemistry Ibn Tofail University Kenitra Morocco., El Hafi M; Faculty of Medicine and Pharmacy, Mohammed First University, Oujda, Morocco.; Laboratory of Heterocyclic Organic Chemistry URAC 21 Pharmacochemistry Competence Center Av Ibn Battouta BP 1014 Faculty of Sciences Mohammed V University in Rabat Morocco., Mague JT; Department of Chemistry, Tulane University, New Orleans, LA 70118, USA., Hökelek T; Department of Physics, Hacettepe University, 06800 Beytepe, Ankara, Türkiye., El Monfalouti H; Laboratory of Plant Chemistry Organic and Bioorganic Synthesis Faculty of Sciences Mohammed V University in Rabat 4 Avenue Ibn Battouta BP 1014 RP Morocco., Haoudi A; Laboratory of Applied Organic Chemistry, Sidi Mohamed Ben Abdellah University, Faculty Of Science And Technology, Road Immouzer, BP 2202 Fez, Morocco., Mazzah A; Science and Technology of Lille USR 3290, Villeneuve d'Ascq cedex, France.

Publikováno v: Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2024 Jun 25; Vol. 80 (Pt 7), pp. 783-788. Date of Electronic Publication: 2024 Jun 25 (Print Publication: 2024).

Multiple scan averaging to yield accurate quantitative analysis of optical coherence tomography angiograms.

Autor: Khan, Hafi M.¹, Gentle, Alex¹, Armitage, James A.¹, To, Chi-ho², Lam, Andrew K. C.² Andrew.kc.lam@polyu.edu.hk

Publikováno v: Scientific Reports. 4/10/2020, Vol. 10 Issue 1, p1-10. 10p.