✦ LIBER ✦

A theoretical study of the electronic structure and properties of some five-membered heterocyclic compounds: pyrazole, imidazole, furan, isoxazole, 1,2,5-oxadiazole and 1,3,4-oxadiazole

✍ Scribed by Tae-Kyu Ha

Publisher: Elsevier Science
Year: 1979
Tongue: English
Weight: 816 KB
Volume: 51
Category: Article
ISSN: 0022-2860
DOI: 10.1016/0022-2860(79)80272-0

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

ChemInform Abstract: Theoretical Study o

ChemInform Abstract: Theoretical Study of the Nonlinear Optical Properties of Thiophene, Furan, Pyrrole, (1,2,4-Triazole), (1,3,4-Oxadiazole), and (1,3,4-Thiadiazole) Monomers and Oligomers.

✍ U-S. CHOI; T.-W. KIM; S.-W. JUNG; C.-J. KIM 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 25 KB 👁 1 views

A Theoretical Study on the Vibrational S

A Theoretical Study on the Vibrational Spectra and Thermodynamic Properties for the Derivatives of 2,5-Dipicryl-1,3,4-oxadiazole with N3, ONO2, and NNO2 Groups

✍ Guixiang Wang; Xuedong Gong; Yan Liu; Hongchen Du; Xiaojuan Xu; Heming Xiao 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 410 KB 👁 2 views

## Abstract The derivatives of 2,5‐dipicryl‐1,3,4‐oxadiazole (DPO) were optimized to obtain their molecular geometries and electronic structures at the DFT‐B3LYP/6‐31G^\*^ level. Their IR spectra were obtained and assigned by vibrational analysis. Compared with the experimental results, all the cal

A Theoretical Study on the Vibrational S

A Theoretical Study on the Vibrational Spectra and Thermodynamic Properties for the Derivatives of 2,5-Dipicryl-1,3,4-oxadiazole with –NO2, –NH2, –OH and –CH3 Groups

✍ Guixiang Wang; Xuedong Gong; Yan Liu; Xiaojuan Xu; Heming Xiao 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 414 KB 👁 1 views

ChemInform Abstract: Five-Membered 2,3-D

ChemInform Abstract: Five-Membered 2,3-Dioxo Heterocycles. Part 71. Recyclization of 4,5-Diaroyl-1H-pyrrole-2,3-diones by the Action of Substituted Hydrazines. Crystalline and Molecular Structure of 2-(3-Benzoyl-1-benzyl-5-phenyl-1H-pyrazol-4-yl)-N- (4-methoxyphenyl)-2-oxoacetamide.

✍ P. S. Silaichev; N. V. Kudrevatykh; Z. G. Aliev; A. N. Maslivets 📂 Article 📅 2011 🏛 John Wiley and Sons ⚖ 33 KB

Fluorinated Heterocyclic Compounds. An E

Fluorinated Heterocyclic Compounds. An Effective Strategy for the Synthesis of Fluorinated (Z)-Oximes of 3-Perfluoroalkyl-6-phenyl-2H-1,2,4-triazin-5-ones via a Ring-Enlargement Reaction of 3-Benzoyl-5-perfluoroalkyl-1,2,4-oxadiazoles and Hydrazine.

✍ Silvestre Buscemi; Andrea Pace; Antonio Palumbo Piccionello; Gabriella Macaluso; 📂 Article 📅 2005 🏛 John Wiley and Sons ⚖ 17 KB 👁 2 views

ChemInform Abstract: Five-Membered 2,3-D

ChemInform Abstract: Five-Membered 2,3-Dioxo Heterocycles. Part 74. Recyclization of 3-Aroylpyrrolo[1,2-a]quinoxaline-1,2,4(5H)-triones (I) by the Action of Benzohydrazides. Crystalline and Molecular Structure of N-[2,4-Dihydroxy-5-oxo-3- (3-oxo-3,4-dihydroquinoxalin-2-yl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl] benzamide.

✍ I. V. Mashevskaya; I. G. Mokrushin; L. V. Kuslina; Z. G. Aliev; A. N. Maslivets 📂 Article 📅 2011 🏛 John Wiley and Sons ⚖ 26 KB 👁 1 views