2 results for “ADF Software”

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Research ArticleOpen accessIn the keywordsTheoretical Investigation of Two Antiemetic Drugs at DFT LevelKhalil Errahmane Kanouni, Yacine BenguerbaThe geometries and the bonding properties have been predicted for two antiemetic drugs using Density Functional Theory method (DFT). Mulliken population and frontier molecular orbital analysis with the determination of the physicochemical properties was performed using the Amsterdam Density Functional package (ADF). To calculate the exchange-correlation energy, the Generalized Gradient Approximation of Becke-Perdew (GGA-BP) was used. The most important finding … …Current Research in Bioinformatics, Vol. 9, Issue 1 · 14 May 2020 · 11,496 accessesView PDF Cite

Case ReportOpen accessIn the abstractEvaluation of Seasonal Autoregressive Integrated Moving Average Models for River Flow ForecastingKassahun Birhanu Tadesse, Megersa Olumana Dinka, Tena Alamirew, Semu Ayalew MogesReservoir operation policies cannot be functional in instant decision making without forecasting the future reservoir inflows. For forecasting inflows into reservoirs with only hydrological data is available like Koga irrigation dam, multivariate forecasting models cannot be used to generate accurate river flow information. As a result, an evaluation of univariate Seasonal Autoregressive Integrated Moving Average (SARIMA) models was done for … …American Journal of Environmental Sciences, Vol. 13, Issue 5 · 28 Sep 2017 · 7,885 accessesView PDF Cite