Results 221 to 230 of about 438,927 (310)

Quantum Mechanics of Mobile Electrons in Conjugated Bond Systems. V. Empirical Determination of Integrals between Carbon Atomic Orbitals from Experimental Data on Benzene

, 1961
Klaus Ruedenberg, E. Miller Layton
openalex   +2 more sources

Quantum Mechanics of One-Dimensional Two-Particle Models. Electrons Interacting in an Infinite Square Well [PDF]

, 1967
D. J. Diestler, Vincent McKoy
openalex   +1 more source

Artificial Intelligence‐Driven Development in Rechargeable Battery Materials: Progress, Challenges, and Future Perspectives

Advanced Functional Materials, EarlyView.
AI is transforming the research paradigm of battery materials and reshaping the entire landscape of battery technology. This comprehensive review summarizes the cutting‐edge applications of AI in the advancement of battery materials, underscores the critical challenges faced in harnessing the full potential of AI, and proposes strategic guidance for ...
Qingyun Hu, Junyuan Lu, Jian Hui, Ziyuan Rao, Yang Ren, Hong Wang   +5 more
wiley   +1 more source

Prediction of enzyme inhibition (IC₅₀) using a combination of protein-ligand docking and semiempirical quantum mechanics. [PDF]

J Mol Model
Glen RC, Cole JC, Stewart JJP.
europepmc   +1 more source

The Statistical Interpretation of Quantum Mechanics [PDF]

, 1968

openalex   +1 more source

A Complementary Hole‐Transport Layer of PTAA and SAM on FTO Substrate for p‐i‐n Structured Perovskite Solar Cells

Advanced Functional Materials, EarlyView.
The complementary roles of Poly[bis(4‐phenyl)(2,4,6‐trimethylphenyl)amine (PTAA) and self‐assembly monolayer (SAM) in a composite hole transport layer for rough fluorine‐doped tin oxide substrates are demonstrated, with PTAA preferentially depositing in the valleys and SAM occupying the peaks, resulting in improved surface potential uniformity ...
Yihao Wang, Mengnan Zhang, Meng Zhang, Xu Liu, Mingwoo Lee, Ziyue Feng, Xiaojie Yuan, Ziheng Liu, Jae Sung Yun, Jiangtao Xu, Xiaojing Hao   +10 more
wiley   +1 more source

Computation of Protein-Ligand Binding Free Energies with a Quantum Mechanics-Based Mining Minima Algorithm. [PDF]

J Chem Theory Comput
Schlinsog M, Sattasathuchana T, Xu P, Guidez EB, Gilson MK, Potter MJ, Gordon MS, Webb SP.   +7 more
europepmc   +1 more source

Final-State Condition and Dissipative Quantum Mechanics. [PDF]

Entropy (Basel), 2022
Ho PM.
europepmc   +1 more source

ON THE NATURE OF THE SPECTRUM IN PROBLEMS OF RELATIVISTIC QUANTUM MECHANICS (II) [PDF]

, 1962
E. C. Titchmarsh
openalex   +1 more source

All‐Material Crosslinked Solid Polymer Electrolytes for High‐Performance and Flexible Lithium Metal Battery

Advanced Functional Materials, EarlyView.
A novel solid polymer electrolyte (SPE) to overcome interface instability in high‐energy‐density lithium metal batteries has been developed. By enhancing ionic conductivity, mechanical elasticity, and adhesion strength through all‐material UV‐crosslinking, the SPE ensures uniform lithium‐ion flow and stable performance—even after bending or cutting ...
Sung Yeon Bae, Seoyeon Kim, Young Ho Yoo, Jin‐Seo Kim, Jieun Lee, Jinhan Cho, Bongjun Yeom, Jeong Gon Son   +7 more
wiley   +1 more source