Results 301 to 310 of about 5,336,405 (341)

Correction: Exciton dynamics from the mapping approach to surface hopping: comparison with Förster and Redfield theories.

Phys Chem Chem Phys
Runeson JE, Fay TP, Manolopoulos DE.
europepmc   +1 more source

Theoretical Chemistry

Nature, 1892
M. Muir
semanticscholar   +6 more sources

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Decoupling the Voltage Hysteresis of Li‐Rich Cathodes: Electrochemical Monitoring, Modulation Anionic Redox Chemistry and Theoretical Verifying

Advanced Functional Materials, 2020
Cathodes in lithium‐ion batteries with anionic redox can deliver extraordinarily high specific capacities but also present many issues such as oxygen release, voltage hysteresis, and sluggish kinetics.
Gang Sun, Fu‐da Yu, Changtai Zhao, Ruizhi Yu, Samuel Farnum, Guangjie Shao, X. Sun, Zhen-bo Wang   +7 more
semanticscholar   +1 more source

Computational chemistry unveiled: a critical analysis of theoretical coordination chemistry and nanostructured materials

Chemical product and process modeling
The article discusses the profound impact of advancements in computing and software on theoretical simulations, marking a transformative era in computational chemistry.
M. Rahman, Shahab Khan, Hamayun Khan, Arshad Ali, Fatima Sarwar   +4 more
semanticscholar   +1 more source

Systems Thinking in Chemistry Education: Theoretical Challenges and Opportunities

Journal of Chemical Education, 2019
Systems thinking approaches underscore a holistic view of the components comprising a dynamic system, including their connections and interdependencies as well as their interactions with other systems.
Samuel Pazicni, A. Flynn
semanticscholar   +1 more source

A theoretical framework for oxygen redox chemistry for sustainable batteries

Nature Sustainability, 2022
Byunghoon Kim, Jun-Hyuk Song, Donggun Eum, Seungju Yu, Kyungbae Oh, M. H. Lee, H. Jang, K. Kang   +7 more
semanticscholar   +1 more source

Intercalation chemistry of graphite: alkali metal ions and beyond.

Chemical Society Reviews, 2019
Reversibly intercalating ions into host materials for electrochemical energy storage is the essence of the working principle of rocking-chair type batteries. The most relevant example is the graphite anode for rechargeable Li-ion batteries which has been
Yuqi Li, Yaxiang Lu, P. Adelhelm, M. Titirici, Yong‐Sheng Hu   +4 more
semanticscholar   +1 more source

Theoretical insights into the surface physics and chemistry of redox-active oxides

Nature Reviews Materials, 2020
R. Rousseau, V. Glezakou, A. Selloni
semanticscholar   +1 more source

Mathematical physics in theoretical chemistry

Mathematical Physics in Theoretical Chemistry, 2019
J. House, S. M. Blinder
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Molecular imaging in oncology: Current impact and future directions

Ca-A Cancer Journal for Clinicians, 2022
Steven P Rowe, Martin G Pomper
exaly