E-Books durchsuchen

Foundations of Molecular Modeling and Simulation [2021]

1
Strain Controlling Catalytic Efficiency of Water Oxidation for Ni<sub>1−x</sub>Fe<sub>x</sub>OOH Alloy
2
The Role of Entropy in the Structural Transitions in Zeolitic Imidazolate Frameworks
3
Coarse-Grained Modeling and Simulations of Thermoresponsive Biopolymers and Polymer Nanocomposites with Specific and Directional Interactions
4
Dissipative Particle Dynamics Approaches to Modeling the Self-Assembly and Morphology of Neutral and Ionic Block Copolymers in Solution
5
The Statistical Mechanics of Solution-Phase Nucleation: CaCO<inline-formula><alternatives><math xmlns="http://www.w3.org/1998/Math/MathML"><msub><mrow></mrow><mn>3</mn></msub></math><tex-math>\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$_3$$\end{document}</tex-math><inline-graphic></inline-graphic></alternatives></inline-formula> Revisited
6
Efficient Sampling of High-Dimensional Free Energy Landscapes: A Review of Parallel Bias Metadynamics
7
Coarse-Grained Force Fields Built on Atomistic Force Fields
8
How Molecular Modelling Tools Can Help in Mitigating Climate Change
Feedback