Results 21 to 30 of about 77,032 (268)

Structural, electrochemical and magnetic characterization of the layered-type PrBa0.5Sr0.5Co2O5+δ perovskite

, 2014
Structural, electrical and magnetic properties of the layered cobaltite PrBa0.5Sr0.5Co2O5+δ have been investigated by means of neutron diffraction, electron diffraction, thermogravimetric analysis and SQUID magnetometry.
Irvine, John T.S., Irvine JT, Azad, Abul Kalam, Irvine, John Thomas Sirr, Azad AK, Kim, Jung H., Kim JH, Azad, Abul K., Kim, Jung   +8 more
core   +1 more source

Tunable topology and berry curvature dipole in transition metal dichalcogenide Janus monolayers

Materials Research Express, 2021
Janus transition metal dichalcogenides, with intrinsic mirror asymmetry, exhibit a wide array of interesting properties. In this work, we study Janus monolayers derived from WTe _2 using first-principles and tight-binding calculations.
Nesta Benno Joseph, Saswata Roy, Awadhesh Narayan   +2 more
doaj   +1 more source

Structural study of La1-xYxScO3, combining neutron diffraction, solid-state NMR, and first-principles DFT calculations

, 2013
The solid solution La1-xYxScO3 (x = 0, 0.2, 0.4, 0.6, 0.8, and 1) has been successfully synthesized using conventional solid-state techniques. Detailed structural characterization has been undertaken using high-resolution neutron powder diffraction and ...
Johnston KE, Ashbrook SE, Mitchell, Martin, Blanc F, Ashbrook, Sharon E., Johnston, Karen Elizabeth, Blanc, Frederic, Lightfoot P, Mitchell, Martin R., Lightfoot, Philip, Ashbrook, Sharon Elizabeth, Johnston, Karen E., Mitchell MR   +12 more
core   +1 more source

New structural units in molybdenum oxyfluoride chemistry

, 2012
This article was supported with EPSRC funding.The solvothermal syntheses and crystal structures of five new molybdenum oxyfluorides are presented. These exhibit three novel structural units, each containing Mo in a reduced oxidation state: a dimeric ...
Lightfoot, Philip, Aldous, David W.
core   +1 more source

Crystal landscape in the orcinol:4,4′-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters

IUCrJ, 2014
Polymorphism in the orcinol:4,4′-bipyridine cocrystal system is analyzed in terms of a robust convergent modular phenol...pyridine supramolecular synthon.
Ritesh Dubey, Mysore S. Pavan, Tayur N. Guru Row, Gautam R Desiraju   +3 more
doaj   +1 more source

Sensitivity and resolution enhancement in the SERF experiment using perfect echo and by elimination of axial peaks and ghost couplings

Journal of Magnetic Resonance Open, 2022
Due to its inherent insensitivity amongst the spectroscopic techniques, improvements in sensitivity and resolution are always demanding in NMR spectroscopy.
Surbhi Tiwari, Neeru Arya, Sandeep Kumar Mishra, N Suryaprakash   +3 more
doaj   +1 more source

Enhanced reversible solid-state photoswitching of a cationic dithienylethene assembled with a polyoxometalate unit

, 2021
International audienceThe first photochromic supramolecular assembly of a dithienylethene (DTE) cation with a polyoxometalate (POM) is elaborated. The POM unit modifies the photoswitching of the DTE in the solid state, via both steric and electronic ...
Kawai, T., Katao, S., Boixel, Julien, Guerchais, Véronique, Puget, M., Dessapt, Rémi, Bolle, P., Menet, C., Serier-Brault, H., Boucher, Florent   +9 more
core   +1 more source

Venous Thromboembolism in Pediatric Bone Sarcoma Patients: A 10‐Year, Single‐Institution Experience Encompassing the COVID‐19 Pandemic

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Background Osteosarcoma (OS) and Ewing sarcoma (EWS) are the most common primary bone cancers in children, but acute thrombosis is poorly characterized in this population. Our study evaluated the rates of venous thromboembolism (VTE) and associated risk factors in pediatric patients with bone sarcomas treated over a 10‐year period encompassing
Sarah Kappa, Shou Xu, Mark Zobeck, Sarah E. Sartain, Nino Rainusso, Lisa Wang, Nicole Montgomery, Paige Wheaton, Sarah Whittle   +8 more
wiley   +1 more source

Calculating NMR parameters in aluminophosphates : evaluation of dispersion correction schemes

, 2014
Periodic density functional theory (DFT) calculations have recently emerged as a popular tool for assigning solid-state nuclear magnetic resonance (NMR) spectra. However, in order for the calculations to yield accurate results, accurate structural models
Daniel M. Dawson, Pickard, Chris J., Ashbrook, Sharon E., Sharon E. Ashbrook, Dawson, Daniel M., Scott Sneddon, Chris J. Pickard, Sneddon, Scott   +7 more
core   +1 more source

Disordered light-harvesting aggregates can host functional vibronic couplings at room temperature

Nature Communications
Photosynthesis relies on a network of chlorophyll-like molecules which together lead to efficient long-range energy transfer. Evidence at cryogenic temperatures suggests that mechanistic details of energy/charge transfer must invoke coupled vibrational ...
Asha S. Thomas, Camelia Roy, Indranil Roy, Vivek N. Bhat, Sayan Ghosh, Vivek Tiwari   +5 more
doaj   +1 more source