Zobrazeno 1 - 10
of 91
pro vyhledávání: '"Vladimir I. Pupyshev"'
Publikováno v:
Russian Journal of Physical Chemistry A. 93:1865-1872
Modern molecular spectroscopy of diatomic molecules is the precision study of the structure and dynamics of electronically excited states of isolated molecules in the gas phase. At the same time, the energy, radiation, magnetic, and electrical charac
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0784ccf1b6a65db303e3dd48eca44751
https://doi.org/10.1134/s0036024419100200
https://doi.org/10.1134/s0036024419100200
Autor:
Henry Montgomery, Vladimir I. Pupyshev
Publikováno v:
Journal of Mathematical Chemistry. 56:493-507
When an atom is confined at the center of a spherically symmetric impenetrable sphere, the electron density is altered. Of particular interest are the changes in the electron density at the center of the cavity as they affect important physical prope
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::119b02f794aee1c403a7e0e08d73b0c2
https://doi.org/10.1007/s10910-017-0797-x
https://doi.org/10.1007/s10910-017-0797-x
Publikováno v:
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 161:155-161
The features of nuclear motion corresponding to the rotation of the formyl group (CHO) are studied for the molecules of furfural and some other five-member heterocyclic aromatic aldehydes by the use of MP2/6-311G** quantum chemical approximation. It
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a5f9cbd77bbfd919a8483efa49ec9d8c
https://doi.org/10.1016/j.saa.2016.02.029
https://doi.org/10.1016/j.saa.2016.02.029
Normal ordering of the su(1, 1) ladder operators for the quasi-number states of the Morse oscillator
Autor:
S. V. Krasnoshchekov, Dmitry Vladimirovich Millionshchikov, Vladimir I. Pupyshev, Xuanhao Chang
Publikováno v:
Physics Letters A. 384:126493
The Morse oscillator is an adequate zero-order model for describing the highly excited vibrational states and large-amplitude vibrational motion. The corresponding Schrodinger equations can be conveniently solved by algebraic methods using the so-cal
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5da266374d4bc9c15765d3f06ab349d0
https://doi.org/10.1016/j.physleta.2020.126493
https://doi.org/10.1016/j.physleta.2020.126493
Autor:
Henry Montgomery, Vladimir I. Pupyshev
Publikováno v:
Physica Scripta. 95:015402
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f37ee3ae997a9abab3f7432f941c97e9
https://doi.org/10.1088/1402-4896/ab45a1
https://doi.org/10.1088/1402-4896/ab45a1
Autor:
Vladimir I. Pupyshev, Henry Montgomery
Publikováno v:
Theoretical Chemistry Accounts. 136
The system of ten low-lying electronic states of a helium atom placed in the center of an impenetrable spherical cavity of radius R c is studied for the case of small cavities. The methods for numerical and qualitative study of the atomic systems in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2610a5f781db774ca3f8a0c402d46ea3
https://doi.org/10.1007/s00214-017-2168-x
https://doi.org/10.1007/s00214-017-2168-x
Publikováno v:
EPJ Web of Conferences, Vol 132, p 03003 (2017)
The methods of analysis the strongly coupled vibrations are proposed for a number of molecules of aromatic and heterocyclic carbonyl (and some others) compounds. The qualitative principles are formulated for molecular systems with a significant kinem
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::75355402b3b792085f2c93c0147e6c18
https://doaj.org/article/2dd515fe09f74617bd28fab5e47679a6
https://doaj.org/article/2dd515fe09f74617bd28fab5e47679a6
Publikováno v:
The Journal of Physical Chemistry A. 118:10159-10165
This work is devoted to investigation of the known problem of the discrepancy between the experimental and theoretical values for the barrier to internal rotation of the molecules comprised of a benzene ring and a π-conjugated substituent, such as b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::47aa9d049e182427ed1a64a191c75642
https://doi.org/10.1021/jp509602s
https://doi.org/10.1021/jp509602s
Autor:
Vladimir I. Pupyshev, Nikolay Stepanov
Publikováno v:
Russian Journal of Physical Chemistry A. 88:1882-1888
Trends in the changes in the characteristics of spectral transitions of the simplest one-electron systems (atoms, oscillators) in an impenetrable spherical cavity upon changing the parameters and size of a system are discussed. Methods for the qualit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ee7432bf65fa019634282177579d3a3a
https://doi.org/10.1134/s0036024414110132
https://doi.org/10.1134/s0036024414110132
Autor:
Vladimir I. Pupyshev, Henry Montgomery
Publikováno v:
International Journal of Quantum Chemistry. 119:e25887
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::67c1686c00749c6b9808ff6307e01797
https://doi.org/10.1002/qua.25887
https://doi.org/10.1002/qua.25887