„Simulations“
Suchergebnisse
10.000+ Treffer
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Cover Picture: Evidence for Low‐Temperature Melting of Mercury owing to Relativity (Angew. Chem. Int. Ed. 29/2013)
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Hydrodynamically Controlled Self‐Organization in Mixtures of Active and Passive Colloids (Small 21/2022)
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Supraparticles for Bare‐Eye H 2 Indication and Monitoring: Design, Working Principle, and Molecular Mobility (Adv. Funct. Mater. 22/2022)
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Hybridizing Triboelectric and Thermomagnetic Effects: A Novel Low‐Grade Thermal Energy Harvesting Technology (Adv. Funct. Mater. 21/2022)
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Cataloguing MoSi 2 N 4 and WSi 2 N 4 van der Waals Heterostructures: An Exceptional Material Platform for Excitonic Solar Cell Applications (Adv. Mater. Interfaces 2/2023)
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Rücktitelbild: Gas‐Phase Peptide Structures Unraveled by Far‐IR Spectroscopy: Combining IR‐UV Ion‐Dip Experiments with Born–Oppenheimer Molecular Dynamics Simulations (Angew. Chem. 14/2014)
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Cover Picture: Mechanical Properties and Failure Mechanisms of Graphene under a Central Load (ChemPhysChem 13/2014)
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Back Cover: Vesicle Structures from Bolaamphiphilic Biosurfactants: Experimental and Molecular Dynamics Simulation Studies on the Effect of Unsaturation on Sophorolipid Self‐Assemblies (Chem. Eur. J. 21/2014)
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Unraveling Crystallization Mechanisms and Electronic Structure of Phase‐Change Materials by Large‐Scale Ab Initio Simulations (Adv. Mater. 11/2022)
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Back Cover: Structural Biology of Cisplatin Complexes with Cellular Targets: The Adduct with Human Copper Chaperone Atox1 in Aqueous Solution (Chem. Eur. J. 37/2014)
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Plastic Antibodies Mimicking the ACE2 Receptor for Selective Binding of SARS‐CoV‐2 Spike (Adv. Mater. Interfaces 5/2022)
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Back Cover: Accelerated Self‐Replication under Non‐Equilibrium, Periodic Energy Delivery (Angew. Chem. Int. Ed. 1/2014)
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Cover Picture: Towards the Realization of Ab Initio Dynamics at the Speed of Molecular Mechanics: Simulations with Interpolated Diabatic Hamiltonian (ChemPhysChem 15/2014)
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Inside Back Cover: Almost Enclosed Buckyball Joints: Synthesis, Complex Formation, and Computational Simulations of Pentypticene‐Extended Tribenzotriquinacene (ChemPhysChem 17/2014)
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Back Cover: Gas‐Phase Peptide Structures Unraveled by Far‐IR Spectroscopy: Combining IR‐UV Ion‐Dip Experiments with Born–Oppenheimer Molecular Dynamics Simulations (Angew. Chem. Int. Ed. 14/2014)
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Machine Learning Accelerated, High Throughput, Multi‐Objective Optimization of Multiprincipal Element Alloys (Small 42/2021)
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Frontispiece: Engineering Dirhodium Artificial Metalloenzymes for Diazo Coupling Cascade Reactions
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Frontispiz: Engineering Dirhodium Artificial Metalloenzymes for Diazo Coupling Cascade Reactions
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Parallel Hybrid Simulations of Block Copolymer Nanocomposites using Coarray Fortran
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Molecular Packing in a Triphenylene‐Surfactant Complex Monolayer: Unambiguous Determination of Electrostatically Driven Molecular Packing in a Triphenylene–Surfactant Complex Monolayer (Adv. Mater. Interfaces 13/2021)