✦ LIBER ✦

Theoretical studies on the heats of formation, densities, and detonation properties of substituted s-tetrazine compounds

✍ Scribed by Yang Zhou; XinPing Long; YuanJie Shu

Publisher: Springer-Verlag
Year: 2009
Tongue: English
Weight: 333 KB
Volume: 16
Category: Article
ISSN: 1610-2940
DOI: 10.1007/s00894-009-0605-z

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Theoretical studies on the structures, d

Theoretical studies on the structures, densities, detonation properties and pyrolysis mechanism of energetic compounds containing pyridine ring

✍ Hui Liu; Hongchen Du; Guixiang Wang; Xuedong Gong 📂 Article 📅 2011 🏛 Springer 🌐 English ⚖ 355 KB

ChemInform Abstract: Theoretical Studies

ChemInform Abstract: Theoretical Studies on the Structures and Properties of Superheavy Element Compounds

✍ A. V. Zaitsevskii; E. A. Rykova; A. V. Titov 📂 Article 📅 2008 🏛 John Wiley and Sons ⚖ 15 KB 👁 2 views

Theoretical studies on the formation mec

Theoretical studies on the formation mechanism and explosive performance of nitro-substituted 1,3,5-triazines

✍ Kiyull Yang; Young Hee Park; Soo Gyeong Cho; Hai Whang Lee; Chan Kyung Kim; Hyun 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 815 KB

## Abstract To develop new highly energetic materials, we have considered the design of molecules with high nitrogen content. Possible candidates include 1,3,5‐triazine derivatives. In this work, we studied potential synthetic routes for melamine using the MP2/6‐31+G(d,p)//B3LYP/6‐31G(d) level of t

Theoretical studies on the properties of

Theoretical studies on the properties of uracil and its dimer upon thioketo substitution

✍ Weihua Wang; Nana Wang; Ping Li; Yuxiang Bu; Xiaoyan Xie; Rui Song 📂 Article 📅 2008 🏛 Springer 🌐 English ⚖ 629 KB

Theoretical study of the density of stat

Theoretical study of the density of states and magnetic properties of electron-doped Sr1−xCexCoO3 compounds

✍ Aimin Sun; Xiu’e Zhang; Yonggang Kang; Guofeng Yang; Shunqing Wang; Tao Zhang; G 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 254 KB

Quantum chemical studies on the structur

Quantum chemical studies on the structure and detonation properties of the fused polynitrodiazoles: New high energy density molecules

✍ P. Ravi; G.M. Gore; Surya P. Tewari; A. K. Sikder 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 275 KB

## Abstract In this study, we explore the possibility that fused polynitrodiazoles act as high energy density materials. Density functional theory calculations at the B3LYP/aug‐cc‐pVDZ level were performed to predict the structure, energy of explosion (≈1.68 kcal g^−1^), density (≈1.98 g cm^−3^), d