Results 31 to 40 of about 672,487 (304)
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
doaj +1 more source
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
doaj +1 more source
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
doaj +1 more source
Anharmonic Vibrational Frequencies and Spectroscopic Constants for the Detection of Ethynol in Space
Frontiers in Astronomy and Space Sciences, 2021 The ethynol (HCCOH) molecule has recently been shown to be present in simulated astrochemical ices possibly linking it to molecular building blocks for interstellar complex organic molecules like amino acids.
Jax D. Dallas +2 more
doaj +1 more source
SiCCO and CCCO: accurate equilibrium structures and spectroscopic constants
, 2005 Cubic force fields have been calculated for SiCCO and CCCO by means of the coupled cluster variant CCSD(T) and Dunning's cc-pVQZ basis set. There from, a variety of spectroscopic constants (harmonic vibrational wavenumbers, vibration-rotation coupling ...
Botschwina, Peter
core +1 more source
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
doaj +1 more source
FEBS 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
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
openaire +2 more sources
Investigating transcription factor dynamics in health and disease using FRAP
FEBS 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
Synergistic perspectives—How single‐molecule biophysics complement biochemical understanding
FEBS Letters, EarlyView.In this review, we discuss how ensemble biochemistry and single‐molecule approaches are complementary, outline commonly used single‐molecule techniques, and illustrate their relevance through two representative case studies: chromatin organization by SMC complexes and pathway choice during DNA double‐strand break repair.
Sara De Bragança +2 more
wiley +1 more source