Results 291 to 300 of about 8,367,557 (368)

Optimizing Computational Parameters for Nuclear Electronic Orbital Density Functional Theory: A Benchmark Study on Proton Affinities. [PDF]

J Comput Chem
Khan RU, Tonner-Zech R, Tonner-Zech R.
europepmc   +1 more source

Unique Performance Considerations for Printable Organic Semiconductor and Perovskite Radiation Detectors: Toward Consensus on Best Practice Evaluation

Advanced Functional Materials, EarlyView.
A lack of standard approaches for testing and reporting the performance of metal halide perovskites and organic semiconductor radiation detectors has resulted in inconsistent interpretation of performance parameters, impeding progress in the field. This Perspective recommends key metrics and experimental details, which are suggested for reporting in ...
Jessie A. Posar, Matthew Large, Andrea Ciavatti, Laura Basiricò, Beatrice Fraboni, Paul J. Sellin, Attila J. Mozer, Marco Petasecca, Matthew J. Griffith   +8 more
wiley   +1 more source

An evolutionary game theory analysis on the environmental impact of discharging Fukushima's nuclear wastewater: International stakeholders and strategic dynamics. [PDF]

PLoS One
Li M, Pengsihua H, Zhao S, Wang Z, Yang L, Liu T.   +5 more
europepmc   +1 more source

Vibrational circular dichroism theory: formulation defining magnetic dipole atomic polar tensors and vibrational nuclear magnetic shielding tensors

, 1987
Laurence A. Nafié, Teresa B. Freedman
openalex   +1 more source

Photoswitchable Conductive Metal–Organic Frameworks

Advanced Functional Materials, EarlyView.
A conductive material where the conductivity can be modulated remotely by irradiation with light is presented. It is based on films of conductive metal–organic framework type Cu3(HHTP)2 with embedded photochromic molecules such as azobenzene, diarylethene, spiropyran, and hexaarylbiimidazole in the pores.
Yidong Liu, Mersad Mostaghimi, Abhinav Chandresh, Saibal Jana, Wolfgang Wenzel, Lars Heinke   +5 more
wiley   +1 more source

Research on Task Complexity Measurements in Human-Computer Interaction in Nuclear Power Plant DCS Systems Based on Emergency Operating Procedures. [PDF]

Entropy (Basel)
Pang E, Dai L.
europepmc   +1 more source

Exploring Electronic States and Ultrafast Electron Dynamics in AlInP Window Layers: The Role of Surface Reconstruction

Advanced Functional Materials, EarlyView.
This study examines the surface characteristics of AlInP (001), crucial for advanced solar cells and photoelectrochemical devices. Using theoretical modeling and experiments, it identifies how phosphorus‐rich and indium‐rich surfaces create mid‐gap states that pin the Fermi level and influence ultrafast electron dynamics.
Mohammad Amin Zare Pour, Sahar Shekarabi, Isaac Azahel Ruiz Alvarado, Jonathan Diederich, Yuyings Gao, Agnieszka Paszuk, Dominik C. Moritz, Wolfram Jaegermann, Dennis Friedrich, Roel van de Krol, Wolf Gero Schmidt, Thomas Hannappel   +11 more
wiley   +1 more source

Combining Optical Control and Geometrical Optimization for Efficient Control of Competing Molecular Photoinduced Processes Far from the Ground State. [PDF]

J Chem Theory Comput
Veintemillas D, Chang BY, Sola IR.
europepmc   +1 more source

Multi‐Pathway Upconversion Emission in Symmetry‐Broken Nanocavities: Broadband Multiresonant Enhancement and Anti‐Correlated Interfacial Sensitivity

Advanced Functional Materials, EarlyView.
Symmetry‐broken plasmonic nanoantenna arrays achieve broadband multiresonant enhancement of second harmonic generation (SHG), third harmonic generation (THG), and upconversion photoluminescence (UCPL), under femtosecond laser excitation across the near‐infrared range (1000–1600 nm).
Elieser Mejia, Yuming Zhao, Meitong Nie, Benjamin Pittelkau, Aditya Garg, Junyeob Song, Wenqi Zhu, Henri Lezec, Amit Agrawal, Wei Zhou   +9 more
wiley   +1 more source