Results 51 to 60 of about 129,793 (295)

Visible and Ultraviolet Laser Spectroscopy of ThF

, 2019
The molecular ion ThF$^+$ is the species to be used in the next generation of search for the electron's Electric Dipole Moment (eEDM) at JILA. The measurement requires creating molecular ions in the eEDM sensitive state, the rovibronic ground state $^3 ...
Cheng, Lan, Cornell, Eric A., Field, Robert W., Gresh, Daniel N., Ng, Kia Boon, Ye, Jun, Zhou, Yan   +6 more
core   +1 more source

Spectroscopic Studies of Molecular Constants in some Polyatomic Molecules

Zeitschrift 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

Polarization‐resolved femtosecond Vis/IR spectroscopy tailored for resolving weak signals in biological samples using minimal sample volume

FEBS Open Bio, EarlyView.
Unique biological samples, such as site‐specific mutant proteins, are available only in limited quantities. Here, we present a polarization‐resolved transient infrared spectroscopy setup with referencing to improve signal‐to‐noise tailored towards tracing small signals. We provide an overview of characterizing the excitation conditions for polarization‐
Clark Zahn, Karsten Heyne
wiley   +1 more source

A comparative spectroscopic and computational insight on the interaction of short and long chain pyrrolidinium based ionic liquids with bovine serum albumin

Journal of Ionic Liquids
In this study, bovine serum albumin (BSA), a model transport protein, is shown to interact with two pyrrolidinium based ionic liquids (ILs), namely, 1-hexyl-1-methyl pyrrolidinium bromide [PyrC6]Br−and 1-dodecyl-1-methyl pyrrolidinium bromide [PyrC12]Br−.
Aashima Anand, Juhi Saraswat, Rajan Patel   +2 more
doaj   +1 more source

Alkali and Alkaline Earth Metal Compounds: Core-Valence Basis Sets and Importance of Subvalence Correlation

, 2003
Core-valence basis sets for the alkali and alkaline earth metals Li, Be, Na, Mg, K, and Ca are proposed. The basis sets are validated by calculating spectroscopic constants of a variety of diatomic molecules involving these elements. Neglect of $(3s,3p)$
Ahlrichs R., Bauschlicher C. W, Dolg M., Huber K. P., JAN M. L. MARTIN, Mann J. B., MARK A. IRON, Martin J. M. L., MIKHAL OREN, Mürtz P., Peterson K. A., Pierloot K., Ruedenberg K., Spellucci P., Sullivan M. B., Werner H.-J., Werner H.-J.   +16 more
core   +1 more source

ExoMol: molecular line lists for exoplanet and other atmospheres [PDF]

, 2012
The discovery of extrasolar planets is one of the major scientific advances of the last two decades. Hundreds of planets have now been detected and astronomers are beginning to characterise their composition and physical characteristics.
Tennyson, Jonathan, Yurchenko, Sergei N.
core   +3 more sources

Study on spectroscopic properties and molecular constants of the ground and excited states of AsCl free-radical

Acta Physica Sinica, 2013
The dissociation limit of AsCl free-radical is correctly determined based on group theory and atomic and molecular statics. Potential energy curves (PECs) for the ground state and several low-lying electronic excited states of AsCl free-radical are calculated using the multi-reference configuration interaction method with the basis set of aug-cc-pV5Z ...
null Zhu Zun-Lue, null Lang Jian-Hua, null Qiao Hao   +2 more
openaire   +1 more source

A light‐triggered Time‐Resolved X‐ray Solution Scattering (TR‐XSS) workflow with application to protein conformational dynamics

FEBS Open Bio, EarlyView.
Time‐resolved X‐ray solution scattering captures how proteins change shape in real time under near‐native conditions. This article presents a practical workflow for light‐triggered TR‐XSS experiments, from data collection to structural refinement. Using a calcium‐transporting membrane protein as an example, the approach can be broadly applied to study ...
Fatemeh Sabzian‐Molaei, Fredrik Orädd, Konstantinos Magkakis, Magnus Andersson   +3 more
wiley   +1 more source

Hunting for Sulfur-containing Molecules in Space: A Spectroscopic Characterization of Cyclopropenethione Based on High-level Ab Initio Calculations

The Astrophysical Journal
Cyclopropenethione falls into the class of complex organic molecules but has not yet been observed in the interstellar medium or any circumstellar disks. However, its existence is very likely, and thus this study provides high-level ab initio predictions,
Subhasish Das, Guntram Rauhut
doaj   +1 more source

Potential energy curves and spectroscopic properties of the low-lying states of CaH molecule

四川大学学报. 自然科学版, 2020
The potential energy curves (PECs) of the 10 low-lying states of calcium monohydride (CaH) have been calculated using the internally contracted multi-reference configuration interaction plus Davidson modification (icMRCI+Q) approach with core-valence ...
万冲, 宋晓书, 吕兵, 雷良建
doaj