Results 71 to 80 of about 49,182 (344)

Redox‐schaltbare Poly‐Lewis‐Säuren für die kontrollierte Freisetzung basischer Gäste

Angewandte Chemie, EarlyView.
In dieser Arbeit werden redox‐schaltbare Poly‐Lewis‐Säuren auf Basis von Dibenzo[a,e]cyclooctatetraen vorgestellt, deren Reduktion zur Planarisierung, π‐Systemerweiterung und damit geschwächter Lewis‐Acidität führt, was eine kontrollierte Freisetzung von Basen‐Gästen ermöglicht.
Maximilian J. Klingsiek, Yury V. Vishnevskiy, Julian Buth, Jan‐Hendrik Lamm, Beate Neumann, Hans‐Georg Stammler, Norbert W. Mitzel   +6 more
wiley   +1 more source

Novel Schiff Bases of Pyrrole: Synthesis, Experimental and Theoretical Characterizations, Fluorescent Properties and Molecular Docking [PDF]

Iranian Journal of Chemistry & Chemical Engineering, 2018
Some new Schiff-base compounds based on pyrrole were synthesized by the reaction of 2-amino-1-methyl-4,5-diphenyl-1H-pyrrole-3-carbonitrile (1)with aromatic aldehydes (2a-2e) in ethanol/acetic acid at room temperature.
Maryam Khashi, Safar Ali Beyramabadi, Azar Gharib   +2 more
doaj  

First-principles molecular-dynamics simulations of a hydrous silica melt: Structural properties and hydrogen diffusion mechanism

, 2004
We use {\it ab initio} molecular dynamics simulations to study a sample of liquid silica containing 3.84 wt.% H$_2$O.We find that, for temperatures of 3000 K and 3500 K,water is almost exclusively dissolved as hydroxyl groups, the silica network is ...
A. F. Holleman, D. Sahagian, E. J. Friebele, G. J. Martyna, J. Sarnthein, M. Nogami, Magali Benoit, Markus Pöhlmann, N. P. Bansal, P. F. McMillan, S. Ispas, Walter Kob   +11 more
core   +2 more sources

Stabilization of a Two-Coordinate [GeCl]⁺ Cation by Simultaneous σ and π Donation from a Monodentate Carbodiphosphorane [PDF]

, 2013
Give me four: The synthesis, structure, and reactivity of [GeCl]+ and [SnCl]+ cations bearing a carbodiphosphorane as ancillary ligand are presented. In the Ge compound, simultaneous σ and π donation from the carbodiphosphorane to Ge is observed (see ...
Alcarazo, M., Gopakumar, G., Khan, S., Thiel, W.   +3 more
core   +2 more sources

Computed Structures, Torsional Scans and NBOs

, 2023
-Transition state and minimized structures-Torsional scan data and raw data tables-Natural bond orbital cube files and formatted Gaussian checkpoint file for NBO ...
openaire   +1 more source

Similarities and Differences between Clavicular Bacterial Osteomyelitis and Nonbacterial Osteitis: Comparisons of 327 Reported Cases

Journal of Immunology Research, 2021
Background. Currently, both clavicular bacterial osteomyelitis (BO) and nonbacterial osteitis (NBO) remain not well understood owing to their much lower incidences. This study is aimed at summarizing similarities and differences between clavicular BO and
Nan Jiang, Ping Zhang, Wei-ran Hu, Zi-long Yao, Bin Yu   +4 more
doaj   +1 more source

Hyperconjugative Effect on the Electronic Wavefunctions of Ethanol

, 2008
Hyperconjugation is a basic conception of chemistry. Its straightforward effect is exhibited by the spatial delocalization characteristics of the electron density distributions or wavefunctions.
Chen, Xiangjun, Li, Hai-Bei, Li, Zhongjun, Shan, Xu, Tian*, Shan Xi, Wang, Kedong, Wu, Fang, Xu, Kezun, Yan, Mi   +8 more
core   +1 more source

A New Parameterization of Volcanic Ash Complex Refractive Index Based on NBO/T and SiO2 Content

Journal of Geophysical Research: Atmospheres, 2019
Radiative transfer models used in remote sensing and hazard assessment of volcanic ash require knowledge of ash optical parameters. Here we characterize the bulk and glass compositions of a representative suite of volcanic ash samples with known complex ...
G. Prata, L. Ventress, E. Carboni, T. Mather, R. Grainger, David M. Pyle   +5 more
semanticscholar   +1 more source

Bicyclo[1.1.0]tetragerman‐2,4‐diid‐Diradikaloid

Angewandte Chemie, EarlyView.
Die Bicyclo[1.1.0]tetragerman‐2,4‐diid‐Diradikaloidverbindung [(ADC)2Ge4], die durch eine gestreckte Brückenkopf‐Ge–Ge‐Bindung gekennzeichnet ist, wurde als venezianroten kristallinen Feststoff isoliert. [(ADC)2Ge4] wurde mit experimentellen und theoretischen Methoden charakterisiert und dessen Reaktivität gegenüber TEMPO und Fe2(CO)9 untersucht ...
Falk Ebeler, Yury V. Vishnevskiy, Jan‐Hendrik Lamm, Beate Neumann, Hans‐Georg Stammler, Rajendra S. Ghadwal   +5 more
wiley   +1 more source

A continuous Flaring- to Normal-branch transition in Sco X-1

, 2005
We report the first resolved rapid transition from a Flaring Branch Oscillation to a Normal Branch Oscillation in the RXTE data of the Z source Sco X-1.
Alpar, Alpar, Belloni, Casella, Dieters, Fortner, Hasinger, Homan, Jonker, Kluszniak, L. Stella, Nespoli, P. Casella, Priedhorsky, Stella, T. Belloni, Wijnands, Wijnands   +17 more
core   +1 more source