Results 81 to 90 of about 579,058 (319)

Cambridge structural database (CSD) [PDF]

, 2011
Department of Chemistry, University of Belgrade, Serbia Cambridge Structural Database (CSD) contains more than five hundred thousand crystal structures of small molecules. Around 150 new crystal structures are archived every day. The data archived in the CSD can help in various fields of research. Some of them are crystallography, structural chemistry,
Andrić, Jelena M., Sredojević, Dušan N., Zarić, Snežana D.   +2 more
openaire  

Cognitive Status in People With Epilepsy in the Republic of Guinea: A Prospective, Case–Control Study

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Objective People with epilepsy (PWE) may experience cognitive deficits but fail to undergo formal evaluation. This study compares cognitive status between PWE and healthy controls in the West African Republic of Guinea. Methods A cross‐sectional, case–control study was conducted in sequential recruitment phases (July 2024–July 2025) at Ignace ...
Maya L. Mastick, Cheick O. Soumah, Malé Doré, Oumar Mara, Desiré Neldje, Fodé A. Cissé, Toure M. Lamine, Aminata Diallo, Seungwon Lee, Siddharth Satish, Alexander J. X. Chen, Alice Liu, Nomin Enkhtsetseg, Farrah J. Mateen, The Guinea Epilepsy Project   +14 more
wiley   +1 more source

How Do the Surroundings of the C-NO₂ Fragment Affect the Mechanical Sensitivity of Trinitroaromatic Molecules? Evidence from Crystal Structures and Ab Initio Calculations

Crystals
The dissociation of the C-NO2 bond is the initial step in the process of the detonation of nitroaromatic explosives. The strength of the C-NO2 bond is significantly influenced by the relative position of the nitro group with respect to the aromatic ring ...
Danijela S. Kretić, Aleksandra B. Đunović, Dragan B. Ninković, Dušan Ž. Veljković   +3 more
doaj   +1 more source

Value of MRI Outcomes for Preventive and Early‐Stage Trials in Spinocerebellar Ataxias 1 and 3

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Objective To examine the value of MRI outcomes as endpoints for preventive and early‐stage trials of two polyglutamine spinocerebellar ataxias (SCAs). Methods A cohort of 100 participants (23 SCA1, 63 SCA3, median Scale for the Assessment and Rating of Ataxia (SARA) score = 5, 42% preataxic, and 14 gene‐negative controls) was scanned at 3T up ...
Thiago J. R. Rezende, Emilien Petit, Young Woo Park, Sophie Tezenas du Montcel, James M. Joers, Jonathan M. DuBois, H. Moore Arnold, Michal Povazan, Ipek Özdemir, Guita Banan, Romain Valabregue, Philipp Ehses, Jennifer Faber, Chiadi U. Onyike, Peter B. Barker, Jeremy D. Schmahmann, Eva‐Maria Ratai, Sub H. Subramony, Thomas H. Mareci, Khalaf O. Bushara, Henry Paulson, Thomas Klockgether, Alexandra Durr, Tetsuo Ashizawa, Christophe Lenglet, Gülin Öz, READISCA Investigators   +26 more
wiley   +1 more source

Close-packing transitions in clusters of Lennard-Jones spheres [PDF]

, 2005
The structures of clusters of spherical and homogeneous particles are investigated using a combination of global optimization methods. The pairwise potential between particles is integrated exactly from elementary Lennard-Jones interactions, and the use ...
Benali, Mohammed, Calvo, Florent, Gerbaud, Vincent, Hemati, Mehrdji   +3 more
core   +2 more sources

Automated oxidation-state assignment for metal sites in coordination complexes in the Cambridge Structural Database.

Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials, 2019
The Cambridge Structural Database (CSD) currently contains over 400 000 transition-metal-containing entries, however many entries still lack curated oxidation-state assignments.
Matthew G Reeves, P. Wood, S. Parsons
semanticscholar   +1 more source

Mechanochemical Synthesis and Characterization of Nanostructured ErB4 and NdB4 Rare‐Earth Tetraborides

Advanced Engineering Materials, Volume 27, Issue 6, March 2025.
ErB4 and NdB4 nanostructured powders are produced by mechanochemical synthesis. 5 h mechanical alloying and 4 M HCl acid leaching are used in the production. ErB4 and NdB4 powders exhibit maximum magnetization of 0.4726 emu g−1 accompanied with an antiferromagnetic‐to‐paramagnetic phase transition at about TN = 18 K and 0.132 emu g−1 with a maximum at ...
Burçak Boztemur, Faruk Kaya, Bora Derin, Mustafa Lütfi Öveçoğlu, Ju Li, Duygu Ağaoğulları   +5 more
wiley   +1 more source

The prediction of single-molecule magnet properties via deep learning

IUCrJ
This paper uses deep learning to present a proof-of-concept for data-driven chemistry in single-molecule magnets (SMMs). Previous discussions within SMM research have proposed links between molecular structures (crystal structures) and single-molecule ...
Yuji Takiguchi, Daisuke Nakane, Takashiro Akitsu   +2 more
doaj   +1 more source

Structural Classification of Metal Complexes with Three-Coordinate Centres [PDF]

, 2015
Attempts to describe the geometry about three-coordinate silver(I) complexes have proven difficult because interatomic angles generally vary wildly and there is no adequate or readily available classification system found in the literature.
Brown, Kenneth J., Davis, Timothy L., Gardinier, James R., Hewage, Jeewantha S., Lindeman, Sergey V., Treleven, Alexander Richard, Watts, Joshua A.   +6 more
core   +1 more source

Study of stacking interactions between two neutral tetrathiafulvalene molecules in Cambridge Structural Database crystal structures and by quantum chemical calculations.

Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials, 2019
Tetrathiafulvalene (TTF) and its derivatives are very well known as electron donors with widespread use in the field of organic conductors and superconductors.
Ivana S Antonijević, D. Malenov, M. Hall, S. Zarić   +3 more
semanticscholar   +1 more source