Results 21 to 30 of about 40,512 (286)

Analysis and Validation of Dipole Moment Calculations in Chemistry Teaching

Orbital: The Electronic Journal of Chemistry, 2017
In this paper, we analyze and validate of an alternative proposal for the understanding and interpretation of the dipole moment of diatomic molecules, content present in the curriculum of disciplines physical chemistry and quantum chemistry in ...
Cristiano Costa Bastos, Bruno Silva Leite   +1 more
doaj   +3 more sources

Energy eigenvalues and finite-temperature magnetization for the improved Scarf II potential in the presence of external magnetic and Aharonov-Bohm flux fields

Heliyon, 2023
In this paper, the bound state solutions of the radial Schrödinger equation are obtained in closed form under an improved Scarf II potential energy function (ISPEF) constrained by external magnetic and Aharonov-Bohm (AB) flux fields.
E.S. Eyube, P.P. Notani, C.A. Onate, U. Wadata, E. Omugbe, B.M. Bitrus, S.D. Najoji   +6 more
doaj   +1 more source

Molecular Terms of Dioxygen and Nitric Oxide

Physchem, 2021
Molecular terms of dioxygen and nitic oxide are presented. Electron spin resonance spectra of diatomic molecules corresponding to these terms are discussed. Gas-phase ESR can be a convenient method of monitoring paramagnetic pollutants in the atmosphere.
Igor V. Khudyakov, Boris F. Minaev
doaj   +1 more source

The {\it ab initio} calculation of spectra of open shell diatomic molecules [PDF]

, 2016
The spectra (rotational, rotation-vibrational or electronic) of diatomic molecules due to transitions involving only closed-shell ($^1\Sigma$) electronic states follow very regular, simple patterns and their theoretical analysis is usually ...
Lodi, Lorenzo, McKemmish, Laura K., Tennyson, Jonathan, Yurchenko, Sergei N   +3 more
core   +2 more sources

Investigating Some Diatomic Molecules Bounded by the Two-Dimensional Isotropic Oscillator plus Inverse Quadratic Potential in an External Magnetic Field

Advances in High Energy Physics, 2022
We investigate the nonrelativistic magnetic effect on the energy spectra, expectation values of some quantum mechanical observables, and diamagnetic susceptibility for some diatomic molecules bounded by the isotropic oscillator plus inverse quadratic ...
O. J. Oluwadare, E. O. Ilesanmi, T. O. Abiola, O. Olubosede, E. A. Odo, S. O. Ajibade, K. J. Oyewumi   +6 more
doaj   +1 more source

Diatomic Line Strengths for Fitting Selected Molecular Transitions of AlO, C₂, CN, OH, ${\mathbf{N}}_{\mathbf{2}}^{\mathbf{+}}$, NO, and TiO, Spectra

Foundations, 2023
This work communicates line-strength data and associated scripts for the computation and spectroscopic fitting of selected transitions of diatomic molecules. The scripts for data analysis are designed for inclusion in various software packages or program
Christian G. Parigger
doaj   +1 more source

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

Heme-Based Gas Sensors in Nature and Their Chemical and Biotechnological Applications

BioChem, 2022
Sensing is an essential feature of life, where many systems have been developed. Diatomic molecules such as O2, NO and CO exhibit an important role in life, which requires specialized sensors.
Ana Claudia Silva Gondim, Wellinson Gadelha Guimarães, Eduardo Henrique Silva Sousa   +2 more
doaj   +1 more source

Relativistic study of the nuclear anapole moment effects in diatomic molecules

, 2013
Nuclear-spin-dependent (NSD) parity violating effects are studied for a number of diatomic molecules using relativistic Hartree-Fock and density functional theory and accounting for core polarization effects.
Borschevsky, A., Dzuba, V. A., Flambaum, V. V., Iliaš, M. M., Schwerdtfeger, P.   +4 more
core   +1 more source

Selecting molecules in the vibrational and rotational ground state by deflection [PDF]

, 2000
A beam of diatomic molecules scattered off a standing wave laser mode splits according to the rovibrational quantum state of the molecules. Our numerical calculation shows that single state resolution can be achieved by properly tuned, monochromatic ...
Domokos, P., Janszky, J., Kiss, T.
core   +4 more sources