Non bonded interaction between BnNn (stator) and BN(-,0,+)B (rotor) systems: A quantum rotation in IR region

MONAJJEMI, Majıd

doi:10.1016/j.chemphys.2013.07.014

Non bonded interaction between B_nN_n (stator) and BN^(-,0,+)B (rotor) systems: A quantum rotation in IR region

Yazarlar (1)

Prof. Dr. Majıd MONAJJEMI The University Of Texas At Austin, Amerika Birleşik Devletleri

Makale Türü	Özgün Makale (ESCI dergilerinde yayınlanan tam makale)
Dergi Adı	Chemical Physics
Dergi ISSN	0301-0104 Wos Dergi Scopus Dergi
Makale Dili	İngilizce	Basım Tarihi	11-2013
Cilt / Sayı / Sayfa	425 / 1 / 29–45	DOI	10.1016/j.chemphys.2013.07.014
Makale Linki	http://www.scopus.com/inward/record.url?eid=2-s2.0-84884482444&partnerID=MN8TOARS

Özet

The electromagnetic non-bonded interactions of BN^(-,0,+)B molecule as a quantum rotor inside several of BnNn molecular rings as a stator has been investigated by using EPR-II and EPR-III basis sets. Optimized structures, relative stability and hyperfine spectroscopic parameters, have been calculated. In this study, we have shown that the B nNn-BNB systems can be works as a nano rotor-stator molecular motor for the biological systems. Although in our previous works, we have discussed (Monajjemi et al. (2010) [20] and Monajjemi and Boggs (2013) [18]) of the stability and electromagnetic properties of some kind of B nNn rings, using of these systems as a detector are much more significant and have investigated in this work. The study for the B nNn-BN^(-,0,+)B systems and then for Adenine-Thymine and Guanine-Cytosine base pairs coupled with BN ^(-,0,+)B inside the BnNn (n = 8, 12, 15, 16, 18, 20, 24) have been investigated. Three quantized rotational frequencies in cationic, radical, and anionic forms have been calculated and all frequencies appeared in the IR rotational region. © 2013 Elsevier B.V. All rights reserved.

Anahtar Kelimeler

Science Direct

BM Sürdürülebilir Kalkınma Amaçları

Atıf Sayıları
Web of Science	89
Scopus	158

Non bonded interaction between B_nN_n (stator) and BN^(-,0,+)B (rotor) systems: A quantum rotation in IR region

Dergi Adı	CHEMICAL PHYSICS
Yayıncı	Elsevier B.V.
Açık Erişim	Hayır
ISSN	0301-0104
E-ISSN	1873-4421
CiteScore	4,2
SJR	0,439
SNIP	0,602

Non bonded interaction between BnNn (stator) and BN(-,0,+)B (rotor) systems: A quantum rotation in IR region

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Non bonded interaction between B_nN_n (stator) and BN^(-,0,+)B (rotor) systems: A quantum rotation in IR region