Results 11 to 20 of about 46,586 (311)

Spectroscopic Constants and Anharmonic Vibrational Frequencies of C(O)OC, c-C₂O₂ and Their Silicon-Containing Analogues [PDF]

Molecules, 2023
Comets are likely to contain various carbon oxide molecules potentially including C(O)OC and c-C2O2 on their surfaces and comae, as well as their silicon-substituted analogues possibly playing a role in the formation of interstellar dust grains.
Olivia A. Harwick, Ryan C. Fortenberry
doaj   +2 more sources

The ground-state spectroscopic constants of Be2 revisited [PDF]

Chemical Physics Letters, 1999
Chem. Phys.
MARTIN, Jan
openaire   +5 more sources

Hyperfine spectroscopy of optical-cycling transitions in singly ionized thulium [PDF]

Scientific Reports
We present a spectroscopic investigation of $$^{169}\text {Tm}^+$$ that provides two key foundations for its use as a platform for advanced quantum applications. First, we establish the complete spectroscopic road map for optical cycling (including laser
Patrick Müller, Andrei Tretiakov, Amanda Younes, Nicole Halawani, Wesley C. Campbell, Paul Hamilton   +5 more
doaj   +2 more sources

Optical constants of graphene measured by spectroscopic ellipsometry [PDF]

Applied Physics Letters, 2010
A mechanically exfoliated graphene flake (∼150×380 μm2) on a silicon wafer with 98 nm silicon dioxide on top was scanned with a spectroscopic ellipsometer with a focused spot (∼100×55 μm2) at an angle of 55°. The spectroscopic ellipsometric data were analyzed with an optical model in which the optical constants were parameterized by B-splines.
Weber, J.W. (author), Calado, V.E. (author), Van de Sanden, M.C.M. (author)   +2 more
openaire   +7 more sources

Resonant Ionic, Covalent Bond, and Steric Characteristics Present in ¹Σ_u⁺ 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, Denis Hagebaum-Reignier, Jin-Tae Kim, Gwang-Hi Jeung   +3 more
doaj   +1 more source

Benchmark Study of the Electronic States of the LiRb Molecule: Ab Initio Calculations with the Fock Space Coupled Cluster Approach

Molecules, 2023
Accurate potential energy curves (PECs) are determined for the twenty-two electronic states of LiRb. In contrast to previous studies, the applied approach relies on the first principle calculations involving correlation among all electrons.
Grzegorz Skrzyński, Monika Musial
doaj   +1 more source

l-doublet splittings in Δ vibrational state of 15N14N16O isotopomer

Chemical Physics Impact, 2021
We report the direct experimental evidences of l-doublet fine splittings between the parity doublet e and f sub-states of β-site isotopomer of nitrous oxide (15N14N16O) in the (1220)←(0220) ro-vibrational transition for l = 2 (i.e.
Ardhendu Pal, Biswajit Panda, Sanchi Maithani, Manik Pradhan   +3 more
doaj   +1 more source

A Spectroscopic Validation of the Improved Lennard–Jones Model

Molecules, 2021
The Lennard–Jones (LJ) and Improved Lennard–Jones (ILJ) potential models have been deeply tested on the most accurate CCSD(T)/CBS electronic energies calculated for some weakly bound prototype systems.
Rhuiago Mendes de Oliveira, Luiz Guilherme Machado de Macedo, Thiago Ferreira da Cunha, Fernando Pirani, Ricardo Gargano   +4 more
doaj   +1 more source

Electronic Structure, Spectroscopy, Cold Ion–Atom Elastic Collision Properties, and Photoassociation Formation Prediction of the (MgCs)⁺ Molecular Ion

Atoms, 2023
In this paper, we extensively study the electronic structure, interactions, and dynamics of the (MgCs)+ molecular ion. The exchanges between the alkaline atom and the low-energy cationic alkaline earths, which are important in the field of cold and ...
Mohamed Farjallah, Dibyendu Sardar, Bimalendu Deb, Hamid Berriche   +3 more
doaj   +1 more source

Determination of spectroscopic constants from rovibrational configuration interaction calculations [PDF]

, 2022
Rotational constants and centrifugal distortion constants of a molecule are the essence of its rotational or rovibrational spectrum (e.g., from microwave, millimeter wave, and infrared experiments).
Dinu, Dennis F., Schröder, Benjamin, Dennis F. Dinu, Martin Tschöpe, Klaus R. Liedl, Benjamin Schröder, Guntram Rauhut, Liedl, Klaus R., Tschöpe, Martin, Rauhut, Guntram   +9 more
core   +1 more source