Results 1 to 10 of about 3,951,961 (299)
Opacities of S-type Stars: The Singlet B 1Π–X 1Σ+, B 1Π–A 1△, and C 1Σ+–X 1Σ+ Band Systems of ZrO
The Astrophysical Journal, 2023 The ZrO B ^1 Π– X ^1 Σ ^+ , B ^1 Π– A ^1 Δ, and C ^1 Σ ^+ – X ^1 Σ ^+ band systems are important opacity sources in the near-infrared and optical spectra of S-type stars.
Peter F. Bernath +2 more
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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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Computational Characterization of Astrophysical Species: The Case of Noble Gas Hydride Cations
Frontiers in Chemistry, 2021 Theoretical–computational studies together with recent astronomical observations have shown that under extreme conditions in the interstellar medium (ISM), complexes of noble gases may be formed.
María Judit Montes de Oca-Estévez +2 more
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Bioinorganic Chemistry and Applications, 2022 Oxoperoxovanadium (V) complexes [VO (O)2 (nf) (bp)] (1) and [VO (O)2 (ox) (bp)] (2) based on 5-nitro-2-furoic acid (nf), oxine (ox) and 2, 2′ bipyridine (bp) bidentate ligands have been synthesized and characterized by FT-IR, UV-visible, mass, and NMR ...
Saraswathi Kothandan +3 more
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Resonant Ionic, Covalent Bond, and Steric Characteristics Present in 1Σu+ States of Li2
Molecules, 2022 The molecular bonding in the excited states of the alkali dimers involves the resonant ionic, covalent bond and steric interactions. We show here the case of the 1Σu+ states of Li2 by ab initio calculation.
Michiko Ahn Furudate +3 more
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The diatomic molecular spectroscopy database
Journal of Cheminformatics, 2020 Motivation The spectroscopy of diatomic molecules is an important research area in chemical physics due to its relevance in astrochemistry, combustion chemistry, and ultracold physics.
Xiangyue Liu +3 more
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Chemical Physics Impact, 2022 Over the past decades, bio-macromolecules-drug binding interaction studies have been of great interest with varied applications in drug modification and development. Such reports help us to recognize the molecular aspects of the bindings correlating with
Aben Ovung, Jhimli Bhattacharyya
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Molecules, 2023 A new green procedure has been applied for the synthesis and purification of asymmetric monomethine cyanine dyes. The photophysical properties of the newly synthesized compounds have been examined by combined application of spectroscopic and theoretical ...
Sonia Ilieva +5 more
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The Astrophysical Journal, 2023 Cyanides, ranging from three carbon atoms to polycyclic aromatic hydrocarbons, and alkenyl compounds are abundant in the interstellar medium. Aminoacrylonitrile (3-Amino-2-propenenitrile, H _2 N–CH=CH–C≡N), an alkenyl cyanide, thus represents a promising
D. Alberton +7 more
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Binuclear copper(II) complexes: Synthesis, structural characterization, DNA binding and in silico studies [PDF]
Journal of the Serbian Chemical Society, 2020 Two new binuclear Cu(II) complexes represented by the general formula {(dmso)Cu(μ-L)4Cu(dmso)} (1) and {(Phen)(L)Cu(μ-L)2Cu(L)(Phen)} (2) where dmso = dimethyl sulphoxide, L = 2-bromophenyl acetate and Phen = = 1,10-phenanthroline have been synthesized ...
Kamran Abdul Waheed +5 more
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