C and 15 N CP/MAS NMR and liquid phase NMR spectra of 4,4 0 -diaminooctafluorobiphenyl (DAOFB) have been reported for the first time. 1 H, 13 C and 15 N NMR chemical shifts of DAOFB (C 12 H 4 F 8 N 2 ) have been calculated by means of the Hartree-Fock (HF) and Becke-3-Lee-Yang-Parr (B3LYP) density f
✦ LIBER ✦
Molecular structure and vibrational spectra of piperidine and 4-methylpiperidine by density functional theory and ab initio Hartree–Fock calculations
✍ Scribed by M. Tahir Güllüoğlu; Yusuf Erdoğdu; Şenay Yurdakul
- Publisher
- Elsevier Science
- Year
- 2007
- Tongue
- English
- Weight
- 327 KB
- Volume
- 834-836
- Category
- Article
- ISSN
- 0022-2860
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Molecular structure, NMR analyses, densi
✍
Cemal Parlak; Özgür Alver; Özge Bağlayan; Mustafa Şenyel
📂
Article
📅
2008
🏛
Elsevier Science
🌐
English
⚖ 472 KB
An experimental and theoretical study of
✍
Mustafa Kurt
📂
Article
📅
2008
🏛
Elsevier Science
🌐
English
⚖ 459 KB
An experimental and theoretical study of
✍
Mehmet Karabacak; Mehmet Çınar; Mustafa Kurt
📂
Article
📅
2008
🏛
Elsevier Science
🌐
English
⚖ 519 KB
Infrared spectra of thiouracils: experim
✍
Leszek Lapinski; Hanna Rostkowska; Maciej J. Nowak; Józef S. Kwiatkowski; Jerzy
📂
Article
📅
1996
🏛
Elsevier Science
🌐
English
⚖ 952 KB
Vibrational spectra and molecular struct
✍
Erol Taşal; İsa Sıdır; Yadigar Gülseven; Cemil Öğretir; Tijen Önkol
📂
Article
📅
2009
🏛
Elsevier Science
🌐
English
⚖ 806 KB
Molecular structure and vibrational spec
✍
Jerzy Leszczynski; Michael C. Zerner
📂
Article
📅
1989
🏛
Elsevier Science
🌐
English
⚖ 419 KB
The structure of the dithionite ion, S2 O:-, is examined using quantum chemical calculations. These studies strongly suggest that only the C2,, (trans) isomer is stable in solution. The CZv (cis) form reported in NazSZ0,.2Hz0 is stabilized by crystal forces. The calculated vibrational spectrum of th