✦ LIBER ✦

Thermodynamic Properties and Relative Stability of Polychlorinated Thianthrenes by Density Functional Theory

✍ Scribed by Wang, Yan; Zeng, Xiao L.; Chen, Hui J.; Wang, Hong J.

Book ID: 127198605
Publisher: American Chemical Society
Year: 2007
Tongue: English
Weight: 53 KB
Volume: 52
Category: Article
ISSN: 0021-9568
DOI: 10.1021/je700127w

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Study of stability and thermodynamic pro

Study of stability and thermodynamic properties for polychlorinated dihydrophezines by density functional theory

✍ Hong X. Liu; Guo Y. Yang; Zun Y. Wang; Lian S. Wang 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 126 KB

## Abstract The thermodynamic properties of 76 polychlorinated dihydrophezines (PCDPs) in the gaseous state at 298.15 K and 101.325 kPa, have been calculated using the density functional theory (the BHANDHLYP/6‐31G\*) with Gaussian 03 program. Based on these data, the isodesmic reactions were desig

Thermodynamic Property and Relative Stab

Thermodynamic Property and Relative Stability of 76 Polybrominated Naphthalenes by Density Functional Theory

✍ Yuan, Li X.; Yu, Jing; Wang, Zun Y.; Liu, Hong X.; Ju, Xue H. 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 65 KB

Study of Structural and Thermodynamic Pr

Study of Structural and Thermodynamic Properties for Polychlorinated Dibenzothiophenes by Density Functional Theory

✍ Chen, Shu D.; Liu, Hong X.; Wang, Zun Y. 📂 Article 📅 2007 🏛 American Chemical Society 🌐 English ⚖ 58 KB

Density Functional Theory Studies on the

Density Functional Theory Studies on the Thermodynamic Properties of Polychlorinated Diphenyl Sulfides

✍ Zeng, Xiao L.; Zhou, Tao; Yu, Yong S. 📂 Article 📅 2008 🏛 American Chemical Society 🌐 English ⚖ 124 KB

Studies of thermodynamic properties and

Studies of thermodynamic properties and relative stability of a series of polyfluorinated dibenzo-p-dioxins by density functional theory

✍ Xi Yang; Hui Liu; Haifeng Hou; Alison Flamm; Xuesheng Zhang; Zunyao Wang 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 232 KB

Prediction of gas-phase thermodynamic pr

Prediction of gas-phase thermodynamic properties for polychlorinated naphthalenes using G3X model chemistry and density functional theory

✍ Liming Wang; Guowen Lv 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 516 KB