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Noble-Metal Nanoparticle-Based Colorimetric Diagnostic Assays for  Point-of-Need Applications | ACS Applied Nano Materials
Noble-Metal Nanoparticle-Based Colorimetric Diagnostic Assays for Point-of-Need Applications | ACS Applied Nano Materials

Nuclear spin conservation enables state-to-state control of ultracold  molecular reactions | Nature Chemistry
Nuclear spin conservation enables state-to-state control of ultracold molecular reactions | Nature Chemistry

Frontiers | Advances in Engineering Human Tissue Models
Frontiers | Advances in Engineering Human Tissue Models

Crystal Nucleation in Liquids: Open Questions and Future Challenges in  Molecular Dynamics Simulations | Chemical Reviews
Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations | Chemical Reviews

Publications • Rossini Group • Iowa State University
Publications • Rossini Group • Iowa State University

New insights into hydrophobicity at nanostructured surfaces: Experiments  and computational models - Jan Macko, Natalia Podrojková, Renata Oriňaková,  Andrej Oriňak, 2022
New insights into hydrophobicity at nanostructured surfaces: Experiments and computational models - Jan Macko, Natalia Podrojková, Renata Oriňaková, Andrej Oriňak, 2022

Development of a Light-Controlled Nanoplatform for Direct Nuclear Delivery  of Molecular and Nanoscale Materials | Journal of the American Chemical  Society
Development of a Light-Controlled Nanoplatform for Direct Nuclear Delivery of Molecular and Nanoscale Materials | Journal of the American Chemical Society

Recent advances and applications of machine learning in solid-state  materials science | npj Computational Materials
Recent advances and applications of machine learning in solid-state materials science | npj Computational Materials

Full article: Molecular-level insights into furfural hydrogenation  intermediates over single-atomic Cu catalysts on magnesia and silica  nanoclusters
Full article: Molecular-level insights into furfural hydrogenation intermediates over single-atomic Cu catalysts on magnesia and silica nanoclusters

Applying multi-scale simulations to materials research of nuclear fuels: A  review - ScienceDirect
Applying multi-scale simulations to materials research of nuclear fuels: A review - ScienceDirect

Thermodynamics and Kinetics of Drug-Target Binding by Molecular Simulation  | Chemical Reviews
Thermodynamics and Kinetics of Drug-Target Binding by Molecular Simulation | Chemical Reviews

Analytical Gradients for Nuclear–Electronic Orbital Time-Dependent Density  Functional Theory: Excited-State Geometry Optimizations and Adiabatic  Excitation Energies | Journal of Chemical Theory and Computation
Analytical Gradients for Nuclear–Electronic Orbital Time-Dependent Density Functional Theory: Excited-State Geometry Optimizations and Adiabatic Excitation Energies | Journal of Chemical Theory and Computation

Design of Nuclear Magnetic Resonance Molecular Probes for Hyperpolarized  Bioimaging - Kondo - 2021 - Angewandte Chemie International Edition - Wiley  Online Library
Design of Nuclear Magnetic Resonance Molecular Probes for Hyperpolarized Bioimaging - Kondo - 2021 - Angewandte Chemie International Edition - Wiley Online Library

Applying multi-scale simulations to materials research of nuclear fuels: A  review - ScienceDirect
Applying multi-scale simulations to materials research of nuclear fuels: A review - ScienceDirect

Development of a Light-Controlled Nanoplatform for Direct Nuclear Delivery  of Molecular and Nanoscale Materials | Journal of the American Chemical  Society
Development of a Light-Controlled Nanoplatform for Direct Nuclear Delivery of Molecular and Nanoscale Materials | Journal of the American Chemical Society

Applying multi-scale simulations to materials research of nuclear fuels: A  review - ScienceDirect
Applying multi-scale simulations to materials research of nuclear fuels: A review - ScienceDirect

Publications • Rossini Group • Iowa State University
Publications • Rossini Group • Iowa State University

Atomic-number (Z)-correlated atomic sizes for deciphering electron  microscopic molecular images | PNAS
Atomic-number (Z)-correlated atomic sizes for deciphering electron microscopic molecular images | PNAS

The Quest to Simulate Excited-State Dynamics of Transition Metal Complexes  | JACS Au
The Quest to Simulate Excited-State Dynamics of Transition Metal Complexes | JACS Au

Encoding the atomic structure for machine learning in materials science -  Li - 2022 - WIREs Computational Molecular Science - Wiley Online Library
Encoding the atomic structure for machine learning in materials science - Li - 2022 - WIREs Computational Molecular Science - Wiley Online Library

IJMS | January-1 2021 - Browse Articles
IJMS | January-1 2021 - Browse Articles

Water | Free Full-Text | Water Radiolysis: Influence of Oxide Surfaces on  H2 Production under Ionizing Radiation | HTML
Water | Free Full-Text | Water Radiolysis: Influence of Oxide Surfaces on H2 Production under Ionizing Radiation | HTML

Informing geometric deep learning with electronic interactions to  accelerate quantum chemistry | PNAS
Informing geometric deep learning with electronic interactions to accelerate quantum chemistry | PNAS