Zobrazeno 1 - 10
of 961
pro vyhledávání: '"Vibrational partition function"'
Autor:
Marcin Buchowiecki
Publikováno v:
Entropy, Vol 22, Iss 8, p 853 (2020)
The vibrational and rovibrational partition functions of diatomic molecules are considered in the regime of intermediate temperatures. The low temperatures are those at which the harmonic oscillator approximation is appropriate, and the high temperat
Externí odkaz:
https://doaj.org/article/59c5124a5101428ea27b1f227f73d7c9
Publikováno v:
FUDMA JOURNAL OF SCIENCES. 5:261-270
In this paper, the improved Wei oscillator has been used to model the experimental Rydberg-Klein-Rees data of the X2 Σg+ state of N2+ diatomic ions. Average absolute deviation from the dissociation energy of 0.3211% and mean absolute percentage devi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d0829a04dfcb8513537f562a28f02a6c
https://doi.org/10.33003/fjs-2021-0501-564
https://doi.org/10.33003/fjs-2021-0501-564
Publikováno v:
Canadian Journal of Physics. 99:253-258
In this study, we have investigated the statistical mechanical properties of the Varshni potential model for some diatomic molecular hydrides via the Euler–Maclaurin formula. This was done using the approximate analytical energy eigenvalues, which
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3ae8ddc97b229c324c6111f4db6ee414
https://doi.org/10.1139/cjp-2020-0507
https://doi.org/10.1139/cjp-2020-0507
Autor:
C. O. Edet, Hewa Y. Abdullah, Gaotsiwe Joel Rampho, Akpan N. Ikot, P. O. Amadi, Ridha Horchani, I. O. Akpan, Uduakobong S. Okorie
Publikováno v:
Journal of Low Temperature Physics. 202:269-289
By employing the concept of the newly proposed Nikiforov-Uvarov functional analysis (NUFA) method, we solved the Klein–Gordon equation with the improved screened Kratzer potential (ISKP) model. The analytical expressions of the energy eigensolution
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c34f1c59821a0930ad220d8891c3a8d3
https://doi.org/10.1007/s10909-020-02544-w
https://doi.org/10.1007/s10909-020-02544-w
Autor:
Marcin Buchowiecki
Publikováno v:
Journal of Mathematical Chemistry. 59:444-458
The analytical forms of non-Boltzmann vibrational distributions are studied by means of the vibrational partition function which, being the cumulative quantity, allows to detect general differences in behavior of vibrational distributions. Various fo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::180e600340925523eca6c4890d72be80
https://doi.org/10.1007/s10910-020-01207-1
https://doi.org/10.1007/s10910-020-01207-1
Autor:
Amlan K. Roy, Debraj Nath
Accurate solution of the Schr\"odinger equation with Deng-Fan potential is presented by means of Nikiforov-Uvarov method. A modified Pekeris-type approximation is proposed for the centrifugal term, from a linear combination of the $r \to 0$ and $r \t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3112b3521580f57a3cbbbb8b54a24ee8
http://arxiv.org/abs/2205.09590
http://arxiv.org/abs/2205.09590
Autor:
Marcin Buchowiecki
Publikováno v:
Plasma Chemistry and Plasma Processing. 40:1081-1089
The statistical thermodynamic model for the vibrational partition function with separated stretching and bending is developed. The model is studied on the example of $$\hbox {CO}_{2}$$CO2 molecule for temperature up to 20,000 K with the aim to descri
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::89ffc275524ec224e5eb7699edda4411
https://doi.org/10.1007/s11090-020-10075-1
https://doi.org/10.1007/s11090-020-10075-1
Publikováno v:
Proceedings of the National Academy of Sciences. 117:5610-5616
Barrierless unimolecular association reactions are prominent in atmospheric and combustion mechanisms but are challenging for both experiment and kinetics theory. A key datum for understanding the pressure dependence of association and dissociation r
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::118d980063d969d2685acaff7d1f65f5
https://doi.org/10.1073/pnas.1920018117
https://doi.org/10.1073/pnas.1920018117
Autor:
Dai, Shu
Doctor of Philosophy
Department of Chemistry
Paul E. Smith
Molecular Dynamics (MD) simulations have played an important role in providing detailed atomic information for the study of biological systems. The quality of an MD simulation
Department of Chemistry
Paul E. Smith
Molecular Dynamics (MD) simulations have played an important role in providing detailed atomic information for the study of biological systems. The quality of an MD simulation
Externí odkaz:
http://hdl.handle.net/2097/18135
Autor:
Marcin Buchowiecki
Publikováno v:
The European Physical Journal Plus. 136
The vibrational partition function is calculated for three diatomic molecules of different character (CO, $$\hbox {H}_{2}^{+}$$ , NH) at extremely high temperatures and contributions of scattering interactions between atoms is analyzed. The classical
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f8af8153f5174fd6d100133d65477474
https://doi.org/10.1140/epjp/s13360-021-01225-1
https://doi.org/10.1140/epjp/s13360-021-01225-1