Zobrazeno 1 - 10
of 23
pro vyhledávání: '"Nobumitsu Honjou"'
Autor:
Nobumitsu Honjou
Publikováno v:
Computational and Theoretical Chemistry. 1054:1-7
The band strength distribution for the D2Σ+ v′–A2Π v″ electronic transition of AlO, and the effect of R dependence of the electronic transition moment on the distribution, are studied based on the ab initio band strengths and the Franck–Con
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fb242dc669503a096bffcfd62f35d21a
https://doi.org/10.1016/j.comptc.2014.11.019
https://doi.org/10.1016/j.comptc.2014.11.019
Autor:
Nobumitsu Honjou
Publikováno v:
Computational and Theoretical Chemistry. 1027:186-190
Breakdown of the Condon approximation in the F 2 Σ + v ′–A 2 Π v″ transition of AlO is studied from the ab initio band strengths and Franck–Condon factors (FCFs) for bands with vibrational quantum numbers v ′ = 0–18 and v″ = 0–18. T
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::168c636157f4c1b3e17c4bde7f6d9384
https://doi.org/10.1016/j.comptc.2013.11.002
https://doi.org/10.1016/j.comptc.2013.11.002
Autor:
Nobumitsu Honjou
Publikováno v:
Computational and Theoretical Chemistry. 978:138-142
Ab initio calculations of band strengths have been carried out for the F2Σ+–A2Π electronic transition of the AlO molecule. The band strength for the 0-0 band, the only band observed, is the largest of the 56 calculated bands. The band strengths f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::099882687023e4961e4c7d37fd93b6f3
https://doi.org/10.1016/j.comptc.2011.10.006
https://doi.org/10.1016/j.comptc.2011.10.006
Autor:
Nobumitsu Honjou
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 939:59-64
Molecular vibrations and electronic structure of the X2Σ+, B2Σ+, D2Σ+, and F2Σ+ states of AlO are studied by carrying out ab initio configuration interaction calculations and molecular vibration calculations using accurate potential energy functi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f1ff1eb4c05aee2b702de3d7aa2b0507
https://doi.org/10.1016/j.theochem.2009.09.041
https://doi.org/10.1016/j.theochem.2009.09.041
Autor:
Nobumitsu Honjou
Publikováno v:
Chemical Physics. 344:128-134
Molecular vibrations in the X2Σ+, A2Π, B2Σ+, and C2Σ+ states of CS+ are studied by ab initio calculations using accurate potential energies. The calculated ωe and ωexe values for the B2Σ+ state bear out the emission spectroscopy values of Tsuj
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c7fb7d79bdecae202899e464fc514fa4
https://doi.org/10.1016/j.chemphys.2007.12.007
https://doi.org/10.1016/j.chemphys.2007.12.007
Autor:
Nobumitsu Honjou
Publikováno v:
Chemical Physics. 324:413-419
The energetics and electronic structure of the 1–5 2 Σ + and 1–3 2 Π states of CS + at and around the equilibrium internuclear distance R e for the CS X 1 Σ + state are studied by carrying out ab initio configuration interaction (CI) calculati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8b37525e83867ba05353aaded3c15410
https://doi.org/10.1016/j.chemphys.2005.09.046
https://doi.org/10.1016/j.chemphys.2005.09.046
Publikováno v:
Chemical Physics Letters. 404:318-322
The experimental anomaly found in the interval between adjacent vibrational levels in the ionic C 1 Σ u + state of the F2 molecule is analyzed. We have calculated the vibrational states of the first 1 Σ u + state by numerically solving the one-dime
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ae5fb43212f68645d0b08bc3a1413bd5
https://doi.org/10.1016/j.cplett.2005.01.092
https://doi.org/10.1016/j.cplett.2005.01.092
Autor:
Nobumitsu Honjou
Publikováno v:
Molecular Physics. 101:3063-3071
Ab initio configuration interaction (CI) calculations have been carried out to study the energetics and electronic structure of the 1–42Π states of SiO+ and the avoided crossings of the 2–42Π potential energy curves (PECs). Spectroscopic consta
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8046f2afe79627a3eb880b980b0eeb66
https://doi.org/10.1080/00268970310001617793
https://doi.org/10.1080/00268970310001617793
Autor:
Nobumitsu Honjou
Publikováno v:
Molecular Physics. 101:131-141
The energy levels and electronic structure of the X2Σ+, B2Σ+ and 32Σ+ states of SiO+ are studied using ab initio configuration interaction (CI) calculations at and around their equilibrium internuclear distances R e. Spectroscopic constants and th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3869f812d6bb4349d78878fcaa8a0bef
https://doi.org/10.1080/00268970210157886
https://doi.org/10.1080/00268970210157886
Autor:
Eisaku Miyoshi, Nobumitsu Honjou
Publikováno v:
Chemical Physics. 212:363-370
The electronic structure of the 4 2 Σ + and 5 2 Σ + excited states of CO+ are studied by using state-averaged complete-active-space self-consistent-field/multireference and configuration interaction calculations at and around the equilibrium intern
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::02b6c488290ed67af0e08113d620e3c7
https://doi.org/10.1016/s0301-0104(96)00225-x
https://doi.org/10.1016/s0301-0104(96)00225-x