The functional states of angular quantum numbers and NeH2 ( v= 0, j = 2) ----NeHH reaction mechanism
    
Yazarlar (3)
Prof. Dr. Emine TANIŞ Kırşehir Ahi Evran Üniversitesi, Türkiye
Engin Yllmaz
Bitlis Eren Üniversitesi, Türkiye
Ezman Karabulut
Bitlis Eren Üniversitesi, Türkiye
Makale Türü Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı Canadian Journal of Physics
Dergi ISSN 0008-4204 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI
Makale Dili İngilizce Basım Tarihi 04-2018
Cilt / Sayı / Sayfa 96 / 12 / 1395–1403 DOI 10.1139/cjp-2018-0162
Makale Linki http://www.nrcresearchpress.com/doi/10.1139/cjp-2018-0162
Özet
The behaviors of Legendre polynomials representing angular movements are independent of the type of reaction and can be studied in detail paying attention to the changes on effective and centrifugal potentials. For the title reaction, dynamic calculations taking into account the effects of potential energy surfaces have been investigated using the real wave packet method on the most realistic potential energy surface (LZHH) recently obtained. The total electrical dipoles and energies were also calculated in the corresponding quantum states of the molecular system.
Anahtar Kelimeler
Angular momentum | Centrifugal effect | Electrical dipole | Legendre polynomials | Potential energy surface