Results 61 to 70 of about 163,188 (284)

Rotational spectroscopy of the HCCO and DCCO radicals in the millimeter and submillimeter range [PDF]

, 2018
The ketenyl radical, HCCO, has recently been detected in the ISM for the first time. Further astronomical detections of HCCO will help us understand its gas-grain chemistry, and subsequently revise the oxygen-bearing chemistry towards dark clouds ...
Bizzocchi, L., Caselli, P., Chantzos, J., Endres, C., Laas, J., Lattanzi, V., Spezzano, S., Vasyunin, A.   +7 more
core   +1 more source

Dynamic Precipitation during High‐Pressure Torsion of a Magnesium–Manganese Alloy

Advanced Engineering Materials, EarlyView.
An ultrafine‐grained alloy is produced by high‐pressure torsion of solutionized Mg–1.35 wt% Mn. Precipitation of nanometer‐scale Mn particles during deformation provides pinning sites. This prevents the formation of a bimodal grain structure and results in a finer grain size than for pure Mg.
Julian M. Rosalie, Anton Hohenwarter
wiley   +1 more source

Theoretical laser cooling feasibility study of ZrH molecule at the fine structure level

Frontiers in Chemistry
A theoretical electronic structure calculation of the ZrH molecule is conducted via ab initio Complete Active Space Self-Consistent Field and the Multireference Configuration Interaction with Davidson correction calculation (CASSCF/MRCI + Q).
Ghina Chamieh, Lokman Awad, Nayla El-Kork, Mahmoud Korek   +3 more
doaj   +1 more source

Binding of cadmium to soil humic acid as a function of carboxyl group content

Macedonian Journal of Chemistry and Chemical Engineering, 2010
The binding of Cd(II) to soil humic acid (HA) at pH 6.5 and in 0.1 mol/L KNO3 ionic medium, was studied by potentiometric titration with a cadmium ion selective electrode.
Tatjana Anđelković, Ružica Nikolić, Aleksandar Bojić, Darko Anđelković, Goran Nikolić   +4 more
doaj   +1 more source

Accurate ab initio ro-vibronic spectroscopy of the X²∏ CCN radical using explicitly correlated methods [PDF]

, 2011
Explicitly correlated CCSD(T)-F12b calculations have been carried out with systematic sequences of correlation consistent basis sets to determine accurate near-equilibrium potential energy surfaces for the X²∏ and a<sup>
Alexander Mitrushchenkov, Bernath P. F., Huzinaga S., J. Grant Hill, Kazim E. Yousaf, Kirk A. Peterson, Lee T. J., Smith M. A. H.   +7 more
core   +3 more sources

Composite Electrospun Fibers Containing Optimized B‐ and Cu‐Doped Bioactive Glass Sol‐Gel Particles for Potential Soft Tissue Engineering Applications

Advanced Engineering Materials, EarlyView.
This article describes the preparation and characterization of poly(ε‐caprolactone) electrospun composite fibers incorporating sol‐gel‐derived bioactive glass particles doped with B and Cu. Scanning electron microscopy, energy‐dispersive X‐ray spectroscopy, Fourier‐transform infrared spectroscopy, contact angle, acellular bioactivity, mechanical and ...
Elisa Piatti, Marta Miola, Liliana Liverani, Paolo Sartori, Enrica Verné, Aldo R. Boccaccini   +5 more
wiley   +1 more source

Spectroscopic Constants, Abundances, and Opacities of the TiH Molecule

, 2004
Using previous measurements and quantum chemical calculations to derive the molecular properties of the TiH molecule, we obtain new values for its ro-vibrational constants, thermochemical data, spectral line lists, line strengths, and absorption ...
A. Burrows, Bauschlicher C. W., C. M. Sharp, C. W. Bauschlicher, Jr., J. A. Milsom, M. Dulick, P. F. Bernath, R. S. Ram, Yerle R.   +8 more
core   +1 more source

High accuracy theoretical investigations of CaF, SrF, and BaF and implications for laser-cooling [PDF]

, 2019
The NL-eEDM collaboration is building an experimental setup to search for the permanent electric dipole moment of the electron in a slow beam of cold barium fluoride molecules [Eur. Phys. J. D, 72, 197 (2018)]. Knowledge of molecular properties of BaF is
:, Aggarwal, Parul, Bethlem, Hendrick L., Boeschoten, Alexander, Borschevsky, Anastasia, collaboration, the NL-eEDM, Denis, Malika, Esajas, Kevin, Hao, Yongliang, Hoekstra, Steven, Jungmann, Klaus, Marshall, Virginia R., Meijknecht, Thomas B., Mooij, Maarten C., Pašteka, Lukaš F., Timmermans, Rob G. E., Touwen, Anno, Ubachs, Wim, Visscher, Lucas, Willmann, Lorenz, Yin, Yanning, Zapara, Artem   +21 more
core   +5 more sources

Trace Nickel Activated Biphasic Core‐CuOii/Shell‐CuOi Secondary Microspheres Enable Room Temperature Parts‐Per‐Trillion‐Level NO2 Detection

Advanced Engineering Materials, EarlyView.
An idea of designing novel sensors is proposed by creating appropriate Schottky barriers and vacancies between isomorphous Core‐CuOii/ Shell‐CuOi secondary microspheres and enhancing catalytic and spill‐over effects, and electronegativity via spontaneous biphasic separation, self‐assembly, and trace‐Ni‐doping.
Bala Ismail Adamu, Peipei Chen, Shafia Mukhtar Ibrahim, Mukhtar Lawan Adam, Attia Falak, Mokhotjwa Simon Dhlamini, Hanfu Wang, Lingxiang Jiang, Weiguo Chu   +8 more
wiley   +1 more source

S = 3 Ground State for a Tetranuclear Mn^(IV)₄O₄ Complex Mimicking the S₃ State of the Oxygen Evolving Complex [PDF]

, 2020
The S₃ state is currently the last observable intermediate prior to O–O bond formation at the oxygen-evolving complex (OEC) of Photosystem II, and its electronic structure has been assigned to a homovalent Mn^(IV)₄ core with an S = 3 ground state.
Agapie, Theodor, Britt, R. David, Chatterjee, Ruchira, Lee, Heui Beom, Marchiori, David A., Oyala, Paul H., Yano, Junko   +6 more
core