Results 61 to 70 of about 30,690 (171)

Comprehensive Theoretical, Spectroscopic, Solvent, Topological and Antimicrobial investigation of 5-Chloro-6-fluoro-2-(2-pyrazinyl)-1H-benzimidazole

Scientific Reports
This study presents comprehensive theoretical, spectroscopic, and biological investigations of the compound 5-Chloro-6-fluoro-2-(2-pyrazinyl)-1H-benzimidazole (5CF2PB). Density Functional Theory (DFT) calculations were performed at the B3LYP/6–311 +  + G(
Fasiuddin G. S, A. Aathif Basha, Attar Kubaib, Syed Khasim, Gassoumi Bouzid, Adnan Almasoudi, Mohammad Rehan Ajmal   +6 more
doaj   +1 more source

The Rotational Zeeman Effect of Imines II. Cis- and Trans-Ethanimine and Trans-Syn- and Trans-Anti-Propenimine, their g-Tensors, Magnetic Susceptibility Anisotropics, Molecular Electric Quadrupole Moments, ¹⁴N Nuclear Quadrupole Coupling Constants, and ¹⁴N Spin-Rotation Coupling Constants; a Microwave Spectroscopic Study Combined with Quantum Chemical Calculations [PDF]

, 1991
H. Krause, D. H. Sutter
openalex   +1 more source

MRCI+Q study on spectroscopic parameters and molecular constants of X1Σ+ and A1Π electronic states of the SiSe molecule

, 2013
Wei Xing, Hui Liu, Shi De-Heng, Sun Jin-Feng, Zhu Zun-L e   +4 more
openalex   +1 more source

Millimeter and Submillimeter Spectroscopy of the Deuterated Molecular Ion SD+

The Astrophysical Journal
Seven rotational and fine-structure transitions of the deuterated molecular ion SD ^+ in the X ^3 Σ ^− ground electronic state have been measured in the 271–863 GHz region in the laboratory.
Mitsunori Araki, Valerio Lattanzi, Christian P. Endres, Paola Caselli   +3 more
doaj   +1 more source

Rotational Spectra and Search for Aromatic Imines: 9-iminofluorene and Benzophenone Imine

The Astrophysical Journal
Interstellar detections of several cyano derivatives of large polycyclic aromatic hydrocarbons (PAHs) have now been achieved, enabled by accurate laboratory measurements of their microwave rotational spectra. These results highlight the continued promise
Huanyu Ren, D. Archie Stewart, Gabi Wenzel, Thomas H. Speak, Martin S. Holdren, Reace H. J. Willis, Brett A. McGuire   +6 more
doaj   +1 more source

High Resolution Leak-Out Spectroscopy of the ν₂ Symmetric CH₃ Stretching Mode of Protonated Acetonitrile, CH₃CNH^. [PDF]

J Phys Chem A
Salomon T, Silva WGDP, Thorwirth S, Asvany O, Schlemmer S.   +4 more
europepmc   +1 more source

Fine Structure Investigation and Laser Cooling Study of the CdBr Molecule. [PDF]

Int J Mol Sci
Mostafa A, Zeid I, Abu El Kher N, El-Kork N, Korek M.   +4 more
europepmc   +1 more source

Energetic and Spectroscopic Insights into the C₃H₆O₂ Isomer Family for Astrochemical Purposes. [PDF]

ACS Earth Space Chem
Savarese A, Alessandrini S, Melosso M, Panizzi G, Nonne M, Bizzocchi L, Puzzarini C.   +6 more
europepmc   +1 more source

Laboratory detection and rotational spectroscopy of <i>trans</i>-HNSO: implications for astronomical observations. [PDF]

Front Chem
Lattanzi V, Sanz-Novo M, Rivilla VM, Jiménez-Serra I, Caselli P.   +4 more
europepmc   +1 more source

Application of Intensity Ratios to Disentangle Rotational Spectra of Large Molecular Clusters: Trifluoroethylene with up to 6 CO₂ Molecules. [PDF]

J Phys Chem A
Gilbert KC, Peebles SA, Pate BH, Peebles RA.   +3 more
europepmc   +1 more source