Journal: Computation

Volume 10, Issue 5

65 -- 0Ignacio Ema, Guillermo Ramírez, Rafael López, José Manuel García de la Vega. Generation of Basis Sets for Accurate Molecular Calculations: Application to Helium Atom and Dimer
66 -- 0Sophiya Rumovskaya. Cognitive Hybrid Intelligent Diagnostic System: Typical Architecture
67 -- 0Yuri N. Bulatov, Andrey V. Kryukov, Vladislav V. Senko, Konstantin V. Suslov, Denis N. Sidorov. A Stochastic Model for Determining Static Stability Margins in Electric Power Systems
68 -- 0Valbonë Mehmeti, Makfire Sadiku. A Comprehensive DFT Investigation of the Adsorption of Polycyclic Aromatic Hydrocarbons onto Graphene
69 -- 0Simone Brogi, Sara Rossi, Roberta Ibba, Stefania Butini, Vincenzo Calderone, Giuseppe Campiani, Sandra Gemma. In Silico Analysis of Peptide-Based Derivatives Containing Bifunctional Warheads Engaging Prime and Non-Prime Subsites to Covalent Binding SARS-CoV-2 Main Protease (Mpro)
70 -- 0Harry Ramanantoanina. LFDFT - A Practical Tool for Coordination Chemistry
71 -- 0Junaidi, Darfiana Nur, Irene Lena Hudson, Elizabeth Stojanovski. Estimation Parameters of Dependence Meta-Analytic Model: New Techniques for the Hierarchical Bayesian Model
72 -- 0Georgios Karagiannis, Zhangshuan Hou, Maoyi Huang, Guang Lin. Inverse Modeling of Hydrologic Parameters in CLM4 via Generalized Polynomial Chaos in the Bayesian Framework
73 -- 0William Lafargue-Dit-Hauret, Xavier Rocquefelte. Influence of the Chemical Pressure on the Magnetic Properties of the Mixed Anion Cuprates Cu2OX2 (X = Cl, Br, I)
74 -- 0Robin Gaumard, Dominik Dragún, Jesús N. Pedroza-Montero, Bruno Alonso, Hazar Guesmi, Irina Malkin Ondík, Tzonka Mineva. Regression Machine Learning Models Used to Predict DFT-Computed NMR Parameters of Zeolites
75 -- 0Nikolaos Mittas, Athanasios C. Mitropoulos. A Data-Driven Framework for Probabilistic Estimates in Oil and Gas Project Cost Management: A Benchmark Experiment on Natural Gas Pipeline Projects
76 -- 0Abdoulaye Samake, Amadou Mahamane, Mahamadou Alassane, Ouaténi Diallo. A Mathematical and Numerical Framework for Traffic-Induced Air Pollution Simulation in Bamako
77 -- 0Volodymyr Turkowski, Talat S. Rahman. Nonadiabatic Exchange-Correlation Potential for Strongly Correlated Materials in the Weak and Strong Interaction Limits
78 -- 0Peter Blaha, Henry Chermette. Dedication: Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th Birthday