Results 131 to 140 of about 1,771,283 (231)

The expressiveness of MTL with counting [PDF]

arXiv, 2012
It is well known that MTL with integer endpoints is unable to express all of monadic first-order logic of order and metric (FO(<,+1)). Indeed, MTL is unable to express the counting modalities $C_n$ that assert a properties holds $n$ times in the next time interval. We show that MTL with the counting modalities, MTL+C, is expressively complete for FO(<,+
arxiv  

High‐Throughput Computational Screening of Small Molecular Crystals for Sustainable Piezoelectric Materials

Angewandte Chemie, Volume 137, Issue 18, April 25, 2025.
This work presents a high‐throughput computational screening of organic molecular crystals for piezoelectric applications. Using DFT calculations, the study identifies key organic materials with significant piezoelectric responses and introduces CrystalDFT, a comprehensive database for scalable analysis, providing a data‐driven foundation for future ...
Shubham Vishnoi, Geetu Kumari, Robert Guest, Pierre‐André Cazade, Sarah Guerin   +4 more
wiley   +2 more sources

Supramolecular architectures in luminescent Zn(II) and Cd(II) complexes containing imidazole derivatives: Crystal structures, vibrational and thermal properties, Hirshfeld surface analysis and electrostatic potentials [PDF]

, 2017
Alejandro Di Santo, Gustavo A. Echeverría, Oscar E. Piro, Hiram Pérez, A. Ben Altabef, Diego M. Gil   +5 more
openalex   +1 more source

Bis(N′-{(E)-[(2E)-1,3-diphenylprop-2-en-1-ylidene]amino}-N-ethylcarbamimidothioato-κ²N′,S)zinc(II): crystal structure and Hirshfeld surface analysis [PDF]

, 2017
Ming Yueh Tan, Karen A. Crouse, T.B.S.A. Ravoof, Mukesh M. Jotani, Edward R. T. Tiekink   +4 more
openalex   +1 more source

Perfluorinated Organosilicons Enabling Low‐Loss Ferroelectric Polymer Composites for Efficient Energy Storage and Electroluminescence

Advanced Science, Volume 12, Issue 17, May 8, 2025.
Ferroelectric polymers for energy storage and conversion are suffering from severe energy losses despite their highly electroactive functions. Here an organic–inorganic hybrid—perfluorinated polyhedral oligomeric silsesquioxane (F‐POSS) is synthesized to markedly suppress losses in ferroelectric polymers for achieving efficient energy storage and ...
Li Li, Zhubing Han, Hemant P Yennawar, Yunyun Cheng, Ting Han, Rui Feng, Yang Zhang, Guanghui Zhao, Qing Wang, Lijie Dong   +9 more
wiley   +1 more source

Crystal structure and Hirshfeld surface analysis of the new cyclodiphosphazane [EtNP(S)NMe₂]₂ [PDF]

, 2017
Chokri Issaoui, Hammouda Chebbi, Khaled Alouani, Abderrahmen Guesmi   +3 more
openalex   +1 more source

Optical Investigation of a Non‐Centrosymmetric Tetrachlorocobaltate (II) Hybrid, in the Presence of Two Distinct Pyridine Molecules

Applied Organometallic Chemistry, Volume 39, Issue 5, May 2025.
This new non‐centrosymmetric compound, characterized by several techniques, emits a yellow‐orange light whose coordinates in the CIE are very close to those of white light. In this compound, the values of the optical band and the fundamental band indicate the suitability of the studied material for optoelectronic applications. ABSTRACT A novel compound,
Sarra Bougossa, Najla Karâa, Ali Ben Ahmed, Besma Hamdi   +3 more
wiley   +1 more source

Solid‐State NMR‐Assisted Dynamic Characterization of two Isostructural Solvates of 5α‐Bromo‐6β,19‐Epoxy‐Androstan‐3β,17β‐Diol Diacetate

Magnetic Resonance in Chemistry, Volume 63, Issue 5-6, Page 360-369, May-June 2025.
The crystallization of the compound 5α‐bromo‐6β,19‐epoxy‐androstan‐3β,17β‐diol diacetate (1) from saturated solutions of acetone and DMSO yielded two isostructural solvates (Forms II and III, respectively). Using microcrystalline samples of the solvates and solid‐state NMR, through the 2H Quadrupolar Spin‐echo pulse sequence, it was determined the ...
Josué Vazquez‐Chavez, Armando Navarro‐Huerta, Marcos Flores‐Álamo, Braulio Rodríguez‐Molina, Martín A. Iglesias‐Arteaga   +4 more
wiley   +1 more source

[N′-(4-Decyloxy-2-oxidobenzylidene)-3-hydroxy-2-naphthohydrazidato-κ³N,O,O′]dimethyltin(IV): crystal structure and Hirshfeld surface analysis [PDF]

, 2017
Siti Nadiah Binti Mohd Rosely, Rusnah Syahila Duali Hussen, See Mun Lee, Nathan R. Halcovitch, Mukesh M. Jotani, Edward R. T. Tiekink   +5 more
openalex   +1 more source

Hirshfeld Surface Analysis for Investigation of Intermolecular Interaction of Molecular Crystals

International Journal of Organic Chemistry, 2023
Shintaro Suda, A. Tateno, Daisuke Nakane, T. Akitsu   +3 more
semanticscholar   +1 more source