Results 21 to 30 of about 3,951,961 (299)

Spectroscopic properties and molecular constants of the ground and excited states of SF molecule

open access: yesActa Physica Sinica, 2013
The potential energy curves (PEC) for the ground state (X2∏) and three excited states (4∑-, 2∑-, 2Δ) of SF molecule are computed using the multireference configuration interaction method and the basis sets aug-cc-pV6Z where the Davidson correction is considered as an approximation to full CI.
null Zhu Zun-Lüe   +2 more
openaire   +1 more source

The Possible Interstellar Anion CH2CN-: Spectroscopic Constants, Vibrational Frequencies, and Other Considerations [PDF]

open access: yes, 2012
The A 1B1
Lee, Timothy J.   +7 more
core   +1 more source

Spectroscopic Characterization of Diazophosphane—A Candidate for Astrophysical Observations

open access: yesThe Astrophysical Journal, 2023
Quite recently, diazophosphane, HP−N≡N, was synthesized for the first time. This was accomplished by a reaction of PH _3 with N _2 under UV irradiation at 193 nm.
Martin Tschöpe, Guntram Rauhut
doaj   +1 more source

Computational and Spectroscopic Investigation of Diaminomethane Formation: The Simplest Geminal Diamine of Astrochemical Interest

open access: yesAtoms
A 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
doaj   +1 more source

Study on spectroscopic parameters and molecular constants of CS+(X2Σ+) and CS+(A2Π) by MRCI

open access: yesActa Physica Sinica, 2011
The potential energy curves (PECs) of CS+(X2Σ+) and CS+(A2Π) have been investigated using the full valence complete active space self-consistent field (CASSCF) method through the highly accurate valence internally contracted multireference configuration interaction (MRCI) approach over the internuclear separation range from 0.05 to 0.60 nm.
null Liu Hui   +4 more
openaire   +1 more source

Synthesis and characterization of violurate-based Mn(II) and Cu(II) complexes nano-crystallites as DNA-binders and therapeutics agents against SARS-CoV-2 virus

open access: yesJournal of Saudi Chemical Society, 2022
Synthesis and structural characterization of nano crystallites of bis-violurate-based manganese(II) and copper(II) chelates is the subject of the present study.
Sami A. Al-Harbi
doaj   +1 more source

MOLECULAR-BEAM SPECTROSCOPIC STUDIES OF INTERMOLECULAR INTERACTIONS

open access: yes, 2016
The results of molecular-beam electric-resonance studies of weakly bound van der Waals complexes are discussed. The use of spectroscopic constants to investigate intermolecular interactions is critically examined.

core   +1 more source

Spectroscopic Studies of Molecular Constants in some Polyatomic Molecules

open access: yesZeitschrift für Naturforschung A, 1966
Force constants have been evaluated by the WILSON group theoretical method for various ij3 molecules possessing a planar trigonal symmetry. Mean-square amplitude quantities and mean amplitudes of vibration for the bonded as well as nonbonded atom pairs have been computed at the temperatures T=0 and T=298 °K for C3 , Si3 , and XeF2 by the CYVIN method ...
openaire   +1 more source

Salmonella lipopolysaccharide‐containing supported lipid bilayers as platforms to study bacteriophage interactions

open access: yesFEBS Letters, EarlyView.
We present robust protocols for the preparation of supported lipid bilayers (SLBs) incorporating either Salmonella smooth LPS or outer membrane vesicles (OMVs). We use a combination of quartz crystal microbalance with dissipation (QCM‐D) and fluorescence microscopy to both characterize the SLBs of various compositions and to probe their interactions ...
Hudson P. Pace   +6 more
wiley   +1 more source

Investigating transcription factor dynamics in health and disease using FRAP

open access: yesFEBS Letters, EarlyView.
FRAP analysis of GFP‐tagged transcription factors reveals how molecular mobility and target engagement change in response to drug treatment. By combining live‐cell imaging, quantitative model fitting, and statistical analysis, this approach uncovers transcription factor dynamics linked to disease mechanisms, providing a powerful framework for ...
Kannan Govindaraj   +3 more
wiley   +1 more source

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