Results 31 to 40 of about 3,606,632 (351)
Excited dipole bound electronic states of potassium iodide anions: A theoretical perspective
AIP Advances, 2023 The information about electronic excited states of molecular anions is of pivotal importance for understanding electron attachment/detachment processes. Here, we present a high-level theoretical study on electronic states of potassium iodide anions (KI−).
Yi Lian +5 more
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Spectroscopic determination of acid dissociation constants of some imidazole derivatives
, 2001 WOS: 000172243900038The acid dissociation constants, pK(a), of eight biologically active imidazole derivatives were determined using a spectroscopic technique. Using the obtained acid dissociation constants, attempts were made to elucidate the structures
Asutay, O +2 more
core +2 more sources
On the electron affinity of SiN and spectroscopic constants of SiN−
The Journal of Chemical Physics, 2005 Accurate spectroscopic constants and energetics were calculated for the two lowest-lying states of SiN and SiN− employing the coupled cluster methodology and very large basis sets (up to doubly augmented sextuple-ζ quality) accounting also for core∕valence correlation, one-electron Douglas-Kroll-Hess relativistic effects, and atomic spin-orbit ...
Kerkines, I.S.K., Mavridis, A.
openaire +3 more sources
AtomsThe potential energy curves and spectroscopic constants of the ground and several low-lying excited states of the Caq+-Kr (q = 0, 1, 2) van der Waals complexes were investigated using one- and two-electron pseudopotential approaches.
Wissem Zrafi +4 more
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Avoiding Bias in Measurements of Fundamental Constants from High Resolution Quasar Spectra
Universe, 2022 Recent advances in spectroscopic instrumentation and calibration methods dramatically improve the quality of quasar spectra. Supercomputer calculations show that, at high spectral resolution, procedures used in some previous analyses of spacetime ...
John K. Webb +2 more
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AtomsA high-level ab initio characterization and formation of diaminomethane (DAM), the simplest geminal diamine, is presented to support its spectroscopic detection and astrochemical relevance in the interstellar medium.
Pravi Mishra +8 more
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On the universality of spectroscopic constants of diatomic molecules
, 2020 We show, through a machine learning approach, that the equilibrium distance, harmonic vibrational frequency, and binding energy of diatomic molecules are universally related. In particular, the relationships between spectroscopic constants are valid independently of the molecular bond.
Liu, Xiangyue +2 more
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Theoretical study with dipole moment calculation of new electronic states of the molecule BF
Nanotechnology Reviews, 2016 The potential energy curves for the 45 singlet, triplet, and quintet electronic states in the representation 2s+1Λ(+/-) of the BF molecule have been investigated using the complete active space self-consistent field (CASSCF) method with multireference ...
Al Shawa Sally +3 more
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International Journal of Electrochemical Science, 2013 The new complexes [M(BHBDAE)(H2O)2] (Co(II), Ni(II), Cu(II) and Zn(II); BHBDAE: N,N'-bis(2–hydroxybenzylidene)–1,1–diaminoethane) have been synthesized and characterized by IR, EPR, 1H NMR, magnetic moment as well as electronic spectroscopy data.
Reda A.A. Ammar +1 more
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Optical Constants of Chemical Vapor Deposited Graphene for Photonic Applications
Nanomaterials, 2021 Graphene is a promising building block material for developing novel photonic and optoelectronic devices. Here, we report a comprehensive experimental study of chemical-vapor deposited (CVD) monolayer graphene’s optical properties on three different ...
Marwa A. El-Sayed +14 more
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