Results 91 to 100 of about 46,586 (311)

EVALUATION OF SPECTROSCOPIC CONSTANTS OF THE MODIFIED RITTNER POTENTIAL BY SIMON-PARR-FINLAN TECHNIQUE [PDF]

, 1980
Author Institution:A critical examination of the Rittner potential is undertaken through the Simon-Parr-Finlan technique, including the contribution of the polarisability of ions and the Van der Waal’s term.
Ghodgaonkar, A. M., Ramani, K., Prabhavalkar, P. D.   +2 more
core  

Visible Opacities of S-type Stars: The d 3Φ–a 3Δ Band System of ZrO

The Astrophysical Journal
ZrO is a well-studied metal monoxide because of its astrophysical importance in characterizing S stars. The bands of the d ^3 Φ–a ^3 Δ system ( γ system) with ${v}^{{\prime} }\leqslant 4$ and v ″ ≤ 5 are rotationally analyzed using the PGOPHER program to
Peter F. Bernath, Manish Bhusal, Jacques Liévin   +2 more
doaj   +1 more source

Time‐Dependent Oxidation and Scale Evolution of a Wrought Co/Ni‐Based Superalloy

Advanced Engineering Materials, EarlyView.
This study shows how a new wrought Co/Ni‐based superalloy resists oxidation at 800 ∘$^\circ$C. The oxide scale changes from rough, fast‐growing spinel to a dense, protective chromia–alumina layer. Atom probe analysis reveals tiny refractory‐rich bubbles at the interface that mark the transition to long‐term, diffusion‐controlled protection ...
Cameron Crabb, Zachary T. Kloenne, Samuel R. Rogers, Chi Hang Dominik Kwok, Mark C. Hardy, Michele S. Conroy, David Dye   +6 more
wiley   +1 more source

CALIBRATION OF LEPS POTENTIALS TO SPECTROSCOPIC CONSTANTS OF TRIATOMIC MOLECULES [PDF]

, 1977
Author Institution: North American Carbon, Incorporated; Battelle Columbus Laboratories; Department of Chemistry, The Ohio State UniversityIn the semi-empirical theory of London, Eyring, Polani, and Sato, the parameter k is usually adjusted to fit ...
Kern, C. W., Carney, G. D., McCreery, J. H., Sprandel, L. L.   +3 more
core  

Analytical potential energy function and spectroscopic parameters for the ground and excited states of NaH [PDF]

, 2004
set of energies at different internuclear distances for the ground electronic state and two excited electronic states of NaH molecule have been calculated using valence internally contracted multireference configuration interaction(MRCI) including ...
Han, KL, Yang, CL, Zhang, X
core   +1 more source

Iron(II) sulphides in cosmic dust: Optical constants depending on iron deficiency and temperature

Astronomy & Astrophysics
Context. Modelling of spectral energy distributions of protoplanetary and debris disks relies on optical constants of the dust components. Iron(II) sulphides are a very likely component of the dust in these objects, and they could influence the dust ...
Kranhold C., Sadeghi A., Harries D., Mutschke H., Vegesna S. V., Langenhorst F., Stanca S. E., Plentz J., Krüger H.   +8 more
doaj   +1 more source

Synthesis of biologically active cadmium (II) complex with tridentate N2O donor Schiff base: DFT study, binding mechanism of serum albumins (bovine, human) and fluorescent nanowires

Journal of Saudi Chemical Society, 2017
The photophysical properties of luminescent tetra-coordinated cadmium (II) complex formulated as [Cd(L)Cl],HL = (1-[(3-methyl-pyridine-2-ylimino)-methyl]-naphthalen-2-ol) were synthesized and characterized by analytical and spectroscopic methods.
Madhumita Hazra, Tanushree Dolai, Subrata Giri, Animesh Patra, Subrata Kumar Dey   +4 more
doaj   +1 more source

Fostering Innovation: Streamlining Magnetocaloric Materials Research by Digitalization

Advanced Engineering Materials, EarlyView.
Magnetocaloric cooling (MCE) is an environmentally friendly refrigeration method with great potential. Optimizing MCE materials involves the preparation and screening of large quantities of samples, which in turn generates a large amount of data. A digitalization approach is presented that uses ontologies, knowledge graphs, and digital workflows to ...
Simon Bekemeier, Moritz Blum, Luana Caron, Alisa Chirkova, Philipp Cimiano, Basil Ell, Inga Ennen, Michael Feige, Maik Gaerner, Thomas Hilbig, Andreas Hütten, Günter Reiss, Tapas Samanta, Sonja Schöning, Christian Schröder, Lennart Schwan, Chris Taake, Martin Wortmann   +17 more
wiley   +1 more source

Protonated Nitrous Oxide, NNOH(+): Fundamental Vibrational Frequencies and Spectroscopic Constants from Quartic Force Fields [PDF]

, 2013
The interstellar presence of protonated nitrous oxide has been suspected for some time. Using established high-accuracy quantum chemical techniques, spectroscopic constants and fundamental vibrational frequencies are provided for the lower energy O ...
Lee, Timothy J., Fortenberry, Ryan C., Huang, Xinchuan   +2 more
core   +1 more source

Microstructure Evolution of a VMnFeCoNi High‐Entropy Alloy After Synthesis, Swaging, and Annealing

Advanced Engineering Materials, EarlyView.
The synthesis and processing (rotary swaging and annealing) of the novel VMnFeCoNi alloy is investigated, alongside the estimation of the grain size effect on hardness. Analysis of a wide grain size range of recrystallized microstructures (12–210 µm) reveals a low annealing twin density.
Aditya Srinivasan Tirunilai, Zeki Ayrildi, Buse Şen, Maik Rajkowski, Mathias Redondo Garcia, Markus Stricker, Guillaume Laplanche   +6 more
wiley   +1 more source