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Journal of Chemical Theory and Computation|July 25, 2017
Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of FreedomMichael Schappals, Andreas Mecklenfeld, Leif Kröger, et al.Chemical Engineering & Technology|April 23, 2019
Influence of pH and Salts on Partial Molar Volume of Lysozyme and Bovine Serum Albumin in Aqueous SolutionsFabian Jirasek, Edder J Garcia, Eva Hackemann, et al.Journal of Magnetic Resonance (San Diego, Calif. : 1997)|February 5, 2020
Prediction of flow effects in quantitative NMR measurementsAnne Friebel, Thomas Specht, Erik von Harbou, et al.Journal of Chemical Information and Modeling|June 18, 2024
Hierarchical Multicriteria Optimization of Molecular Models of WaterAditya Kulkarni, Michael Bortz, Karl-Heinz Küfer, et al.Journal of Chemical Theory and Computation|July 2, 2020
Multicriteria Optimization of Molecular Models of Water Using a Reduced Units ApproachAditya Kulkarni, Michael Bortz, Karl-Heinz Küfer, et al.Langmuir : the ACS Journal of Surfaces and Colloids|February 11, 2015
Characterization of alkylsilane self-assembled monolayers by molecular simulationJuan Manuel Castillo, Mischa Klos, Karin Jacobs, et al.The Journal of Chemical Physics|October 1, 2022
Interfacial properties of binary azeotropic mixtures of simple fluids: Molecular dynamics simulation and density gradient theoryJens Staubach, Simon StephanCognition|July 24, 2021
A counterfactual simulation model of causation by omissionTobias Gerstenberg, Simon StephanJournal of Chemical Theory and Computation|February 21, 2023
Determining Brown's Characteristic Curves Using Molecular SimulationMaximilian Urschel, Simon StephanChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|July 19, 2025
Quantitative Nuclear Magnetic Resonance Spectroscopy with Overhauser Dynamic Nuclear PolarizationJohnnie Phuong, Raphael Kircher, Sarah Mross, et al.Pageof 12