Results 21 to 30 of about 46,586 (311)

Laser cooling and electronic structure studies of CaK and its ions CaK±

New Journal of Physics, 2021
Aiming at a laser cooling investigation, we have used ab initio complete active space self consistent field (CASSCF)/(MRCI +Q) calculations to study the electronic structure of the diatomic molecule CaK and its molecular ions CaK ^+ and CaK ^− .
Amal Moussa, Nayla El-Kork, Mahmoud Korek   +2 more
doaj   +1 more source

Spectroscopic determination of acid dissociation constants of some imidazole derivatives [PDF]

, 2001
WOS: 000172243900038The acid dissociation constants, pK(a), of eight biologically active imidazole derivatives were determined using a spectroscopic technique. Using the obtained acid dissociation constants, attempts were made to elucidate the structures
Asutay, O, Öğretir, Cemil, Berber, Halil   +2 more
core   +3 more sources

The diatomic molecular spectroscopy database

Journal of Cheminformatics, 2020
Motivation The spectroscopy of diatomic molecules is an important research area in chemical physics due to its relevance in astrochemistry, combustion chemistry, and ultracold physics.
Xiangyue Liu, Stefan Truppe, Gerard Meijer, Jesús Pérez-Ríos   +3 more
doaj   +1 more source

Thermodynamic and Spectroscopic Studies of the Complexes Formed in Tartaric Acid and Lanthanide(III) Ions Binary Systems

Molecules, 2020
Binary complexes of tartaric acid with lanthanide(III) ions were investigated. The studies have been performed in aqueous solution using the potentiometric method with computer analysis of the data for detection of the complexes set, determination of the
Michal Zabiszak, Martyna Nowak, Zbigniew Hnatejko, Jakub Grajewski, Kazuma Ogawa, Malgorzata T. Kaczmarek, Renata Jastrzab   +6 more
doaj   +1 more source

Opacities of S-type Stars: The Singlet B 1Π–X 1Σ+, B 1Π–A 1△, and C 1Σ+–X 1Σ+ Band Systems of ZrO

The Astrophysical Journal, 2023
The ZrO B ^1 Π– X ^1 Σ ^+ , B ^1 Π– A ^1 Δ, and C ^1 Σ ^+ – X ^1 Σ ^+ band systems are important opacity sources in the near-infrared and optical spectra of S-type stars.
Peter F. Bernath, Manish Bhusal, Jacques Liévin   +2 more
doaj   +1 more source

Interaction of sulforaphane with DNA and RNA. [PDF]

PLoS ONE, 2015
Sulforaphane (SFN) is an isothiocyanate found in cruciferous vegetables with anti-inflammatory, anti-oxidant and anti-cancer activities. However, the antioxidant and anticancer mechanism of sulforaphane is not well understood. In the present research, we
Farzaneh Abassi Joozdani, Faramarz Yari, Parvaneh Abassi Joozdani, Shohreh Nafisi   +3 more
doaj   +1 more source

(Ro)vibrational Spectroscopic Constants, Lifetime and QTAIM Evaluation of Fullerene Dimers Stability

Molecules, 2023
The iconic caged shape of fullerenes gives rise to a series of unique chemical and physical properties; hence a deeper understanding of the attractive and repulsive forces between two buckyballs can bring detrimental information about the structural ...
Rodrigo A. Lemos Silva, Mateus R. Barbosa, Caio R. Martins, Daniel F. Scalabrini Machado, Luciano Ribeiro, Heibbe C. B. de Oliveira, Demétrio A. da Silva Filho   +6 more
doaj   +1 more source

SiCCO and CCCO: accurate equilibrium structures and spectroscopic constants [PDF]

, 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

Characterization of amorphous carbon films from 5 nm to 200 nm on single-side polished a-plane sapphire substrates by spectroscopic ellipsometry

Frontiers in Physics, 2022
In this work, a series of amorphous carbon films were deposited on a-plane sapphire substrates by magnetron sputtering with deposition time from 15 min to 8 h, in order to investigate the thickness and optical properties in the process of growth in a non-
Ziqing Li, Ziqing Li, Ziqing Li, Changcai Cui, Changcai Cui, Xiaolong Zhou, Subiao Bian, Subiao Bian, Subiao Bian, Oriol Arteaga, Oriol Arteaga, Xipeng Xu, Xipeng Xu   +12 more
doaj   +1 more source

Comparative Extraction of Aluminum Group Metals Using Acetic Acid Derivatives with Three Different-Sized Frameworks for Coordination

Separations, 2021
We prepared acetic acid derivatives using three different frameworks, calix[4]arene, alkenyltrimethylol, and trihydroxytriphenylmethane, which differ in the number and size of their coordination sites.
Keisuke Ohto, Nako Fuchiwaki, Hiroaki Furugou, Shintaro Morisada, Hidetaka Kawakita, Marco Wenzel, Jan J. Weigand   +6 more
doaj   +1 more source