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SCC-DFTB-PIMD Method To Evaluate a Multidimensional Quantum Free-Energy Surface for a Proton-Transfer Reaction | Journal of Chemical Theory and Computation
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Computation | Free Full-Text | Periodic DFTB for Supported Clusters: Implementation and Application on Benzene Dimers Deposited on Graphene
Amorphous inorganic semiconductors for the development of solar cell, photoelectrocatalytic and photocatalytic applications - Chemical Society Reviews (RSC Publishing) DOI:10.1039/D0CS01134G
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The (010) Surface of the Al45Cr7 Complex Intermetallic Compound: Insights from Density Functional Theory - Brix - 2020 - Zeitschrift für anorganische und allgemeine Chemie - Wiley Online Library
Corrosion inhibition of aluminum current collector by a newly synthesized 5-formyl-8-hydroxyquinoline for aqueous-based battery - ScienceDirect
Bulk Properties of Transition Metals: A Challenge for the Design of Universal Density Functionals | Journal of Chemical Theory and Computation
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Recent progress and challenges on the bismuth-based anode for sodium-ion batteries and potassium-ion batteries - ScienceDirect
Using paleo-archives to safeguard biodiversity under climate change | Science
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Multifunctional hierarchical graphene-carbon fiber hybrid aerogels for strain sensing and energy storage | SpringerLink
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Sustainability | Free Full-Text | Exploring Innovation Ecosystem of Incumbents in the Face of Technological Discontinuities: Automobile Firms
Stabilities and Electronic Structures of Transition Metal (Cu, Ag, Au, Ni, Pd, Pt) Cluster-Confined UiO-66 | The Journal of Physical Chemistry C
Multifunctional hierarchical graphene-carbon fiber hybrid aerogels for strain sensing and energy storage | SpringerLink
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arXiv:2209.08184v1 [cond-mat.mtrl-sci] 16 Sep 2022
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Corrosion inhibition of aluminum current collector by a newly synthesized 5-formyl-8-hydroxyquinoline for aqueous-based battery - ScienceDirect
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The dispersion energy E disp (in eV) calculated using formula (3) as a... | Download Scientific Diagram
