Probing the Electronic Structure of Metal Clusters by Manfred M. Kappes, Peter Radi, Martin Schär, Ernst Schumacher

Get full text

eminus — Pythonic electronic structure theory by Wanja Timm Schulze, Sebastian Schwalbe, Kai Trepte, Stefanie Gräfe

Subjects: Get full text

Electronic Structure of Strongly Correlated Systems by V. N. Antonov, L. V. Bekenov, A. N. Yaresko

Get full text

Electronic structure of mesoionic compounds. The classification problem by Mariia Kyrpa, Sergiy Kovalenko, Volodymyr Ivanov

Get full text

The Electronic Structure and Bonding in Some Small Molecules by George B. Bacskay

Subjects: Get full text

Investigation of electronic structure for β-Zr in the(s-d) subshell by Abdulhadi Mirdan Ghaleb

Get full text

The Electronic Structure of Short Carbon Nanotubes: The Effects of Correlation by Vijay Gopal Chilkuri, Stefano Evangelisti, Thierry Leininger, Antonio Monari

Get full text

Electronic Structure of Copper Antimony Using Compton Scattering Technique by Baghdad Science Journal

Get full text

Stacking-dependent topological electronic structures in honeycomb-kagome heterolayers by Chan Bin Bark, Hanbyul Kim, Seik Pak, Hong-Guk Min, Sungkyun Ahn, Youngkuk Kim, Moon Jip Park

Get full text

Spin splitting in the surface electronic structure of antiferromagnet NdBi by Rikako Yamamoto, Takeru Motoyama, Takuma Iwata, Towa Kosa, Yukimi Nishioka, Kazumasa Ideura, Masashi Arita, Koji Miyamoto, Taichi Okuda, Akio Kimura, Takemi Yamada, Yuki Yanagi, Takahiro Onimaru, Kenta Kuroda

Get full text

Effect of Hydrostatic Pressure on the Electronic Structure of the Crystal NiMnAs by S.V.В Syrotyuk, I.Ye.В Lopatynskyi, V.M.В Shved, N.O.В Shcherban

Get full text

Design of Carborane Molecular Architectures via Electronic Structure Computations by Josep M. Oliva, Luis Serrano-Andrés, Douglas J. Klein, Paul von Ragué Schleyer, Josef Michl

“…Quantum-mechanical electronic structure computations were employed to explore initial steps towards a comprehensive design of polycarborane architectures through assembly of molecular units. …”
Get full text

QUADRUPOLE COUPLING CONSTANT AND ELECTRONIC STRUCTURE OF COMPOUNDS ЭХ3 by K. F. Khalitov, V. F. Novikov

Get full text

Electronic structure modulation of high entropy materials for advanced electrocatalysis by Luoluo Qi, Jingqi Guan

“…Based on this motivation, we comprehensively and systematically summarize HEMs, outline their intrinsic properties and electrochemical advantages, generalize current state-of-the-art synthetic methods, analyze electrochemical active centers in conjunction with characterization techniques, utilize theoretical research to conduct a high-throughput screening of the targeted high-entropy catalyst and the exploration of the reaction mechanisms, and importantly, focus specially on the electrochemical applications of high-entropy catalysts and propose strategies for regulating electronic structure to accelerate electrochemical reaction kinetics, including morphological control, defect engineering, element regulation, strain engineering and so forth. …”
Get full text

Electronic Structure of the Ground and Low-Lying States of MoLi by Constantinos Demetriou, Demeter Tzeli

Subjects: Get full text

Electronic Structure, Optical and Sensor Properties of ZnO Nanowires by O.V. Bovgyra, M.V. Kovalenko

Subjects: Get full text

Characterization of the electronic structure and fate of doubly ionized carbon diselenide by Marco Parriani, Emelie Olsson, Veronica Daver Ideböhn, Måns Wallner, Richard J. Squibb, Gunnar Nyman, Stefano Falcinelli, John H. D. Eland, Majdi Hochlaf, Raimund Feifel

Get full text

The electronic structure, crystal fields, and magnetic anisotropy in RECo5 magnets by Zhen Zhang, Andrey Kutepov, Leonid Pourovskii, Vladimir Antropov

“…The current progress in describing rare-earth-based magnets' electronic structure and magnetic properties is discussed. …”
Get full text

Electronic structure and performance analysis of a pentagraphene based thermoelectric generator by Mulgeta Girma, Tadesse Lemma Wakjira, Kedir Hussien, Kumneger Tadele, Seyfan Kelil

“…This study investigated the potential of pentagraphene (PG) as a high-performance thermoelectric material for energy conversion applications. Electronic structure calculations revealed that PG is an indirect bandgap semiconductor with a bandgap energy of 2.11 eV and exhibits anisotropic dielectric and plasmon properties. …”
Get full text

ELECTRONIC STRUCTURE OF LAYERED COMPOUNDS WHICH CONSISTS OF TWO- AND TRICOORDINATED CARBON ATOMS by T.E. Belenkova, V.M. Chernov

Subjects: Get full text