Results 1 to 10 of about 131,079 (285)

Electron Lone-Pairs Stereochemistry and Drastic van der Waals and Pressure Effects in AsF₃ from First Principles

Condensed Matter, 2021
AsF3E as a representative of a molecular crystal has been chosen to find the precise localization of the lone pair (LP) E centroid 4s2 of As3+ and to enlighten the behavior of lone pair triplets of fluorine atoms. Starting from stereochemistry rationale,
Jean Galy, Samir F. Matar
doaj   +1 more source

High throughput thermal conductivity of high temperature solid phases: The case of oxide and fluoride perovskites

, 2016
Using finite-temperature phonon calculations and machine-learning methods, we calculate the mechanical stability of about 400 semiconducting oxides and fluorides with cubic perovskite structures at 0 K, 300 K and 1000 K.
Carrete, Jesús, Curtarolo, Stefano, Mingo, Natalio, Oses, Corey, van Roekeghem, Ambroise   +4 more
core   +2 more sources

Nickel-Catalyzed Decarbonylative Stannylation of Acyl Fluorides under Ligand-Free Conditions

Molecules, 2019
Nickel-catalyzed decarbonylative stannylation of acyl fluorides under ligand-free conditions was disclosed. A variety of aromatic acyl fluorides are capable of reacting with silylstannanes in the presence of cesium fluoride.
Xiu Wang, Zhenhua Wang, Li Liu, Yuya Asanuma, Yasushi Nishihara   +4 more
doaj   +1 more source

A Titanium Tetrafluoride Experimental Gel Combined with Highly Concentrated Hydrogen Peroxide as an Alternative Bleaching Agent: An In Vitro Study

Gels, 2022
This in vitro study evaluated color change, mineral content, and morphology of enamel, pH and cytotoxicity of experimental bleaching agents containing 35% hydrogen peroxide (HP), titanium tetrafluoride (TiF4), Natrosol, and Chemygel.
Rodrigo Lins, Pedro Rosalen, Diego Silva, Bianca Kawabata, Luís Roberto Martins, Vanessa Cavalli   +5 more
doaj   +1 more source

Fluorides, orthodontics and demineralization: a systematic review [PDF]

, 2005
Objectives: To evaluate the effectiveness of fluoride in preventing white spot lesion (WSL) demineralization during orthodontic treatment and compare all modes of fluoride delivery.
A. A. Shah, D. T. Millett, F. Dyer, N. Parkin, P. E. Benson, R. S. Vine   +5 more
core   +2 more sources

A rapid access to aliphatic sulfonyl fluorides

Nature Communications, 2019
Sulfonyl fluorides are important probes in chemical biology and molecular pharmacology. Here, the authors report a mild visible light-mediated decarboxylative fluorosulfonylethylation for the synthesis of aliphatic sulfonyl fluorides from a wide range of
Ruting Xu, Tianxiao Xu, Mingcheng Yang, Tianpeng Cao, Saihu Liao   +4 more
doaj   +1 more source

Local structural analyses on molten terbium fluoride in lithium fluoride and lithium–calcium fluoride mixtures [PDF]

, 2010
X-ray absorption fine structure (XAFS) measurements on terbium fluoride in molten lithium fluoride and in molten lithium–calcium fluoride mixtures, (e.g.
Akatsuka, Hiroshi, Bessada, Catherine, Chamelot, Pierre, Matsuura, Haruaki, Nezu, Atsushi, Numakura, Masahiko, Okamoto, Yoshihiro, Pauvert, Olivier, Shimohara, Yasuaki, Shiwaku, Hideaki, Tajima, Keisuke, Yaita, Tsuyoshi, Zanghi, Didier   +12 more
core   +2 more sources

Processing of titanium production sludge with the extraction of titanium dioxide

Metalurgija, 2021
An urgent task at the present time is the disposal and processing of large-tonnage waste of titanium production of Ust-Kamenogorsk titanium-magnesium plant of the Republic of Kazakhstan.
A. A. Ultarakova, A. M. Yessengaziyev, E. I. Kuldeyev, K. K. Kassymzhanov, O. Kh. Uldakhanov   +4 more
doaj  

Defluorosilylation of fluoroarenes and fluoroalkanes

Nature Communications, 2018
Transformation of strong C-F bonds into C-Si bonds is an extremely useful strategy for further derivatization of organic molecules. Here, the authors report a nickel-catalyzed strategy to convert aryl fluorides into sylylated arenes while ...
Benqiang Cui, Shichong Jia, Etsuko Tokunaga, Norio Shibata   +3 more
doaj   +1 more source

Electronic structure of fluorides: general trends for ground and excited state properties

, 2011
The electronic structure of fluorite crystals are studied by means of density functional theory within the local density approximation for the exchange correlation energy.
A.I. Kalugin, A.P. Ayala, B.A. Orlowski, C. Wong, D.D. Koelling, D.M. Ceperley, E. Cadelano, E. Deligoz, E.L. Shirley, F. Ebert, F.D. Murnaghan, F.J. Weesner, G. Cappellini, G. Cappellini, G. Kresse, G. Kresse, G. Kresse, G. Satta, G.A. Samara, G.B. Bachelet, G.W. Rubloff, H. Jiang, H. Jiang, H. Okamoto, H. Shi, H. Shi, H.J. Monkhort, I. Kosacki, J. Kudrnovský, J.H. Burnett, J.P. Albert, J.P. Perdew, L.X. Benedict, M. Fujita, M. Hostettler, M. Kaupp, M. Nizam, M. Scrocco, P.E. Blöchl, R. Jia, R. Tousey, S. Hull, T. Mattila, W. Kohn, W.Y. Ching, X.W. Sun, Y. Bouteiller, Y. Ma   +47 more
core   +2 more sources