✦ LIBER ✦

A density functional study of the structure and potential energy surface of dibenzenechromium and its alkylated derivatives

✍ Scribed by I. P. Gloriozov; A. Yu. Vasil’kov; Yu. A. Ustynyuk

Book ID: 110183207
Publisher: International Academic Publishing Co (Nauka/Interperiodica)
Year: 2006
Tongue: English
Weight: 400 KB
Volume: 80
Category: Article
ISSN: 0036-0244
DOI: 10.1134/s0036024406030150

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Density functional theoretical (DFT) and

Density functional theoretical (DFT) and surface-enhanced Raman spectroscopic study of guanine and its alkylated derivatives

✍ Giese, Bernd; McNaughton, Don 📂 Article 📅 2002 🏛 Royal Society of Chemistry 🌐 English ⚖ 280 KB

Structure and Energy of Mo27SxCy Cluster

Structure and Energy of Mo27SxCy Clusters: A Density Functional Theory Study

✍ Xiao-Dong Wen; Zhi Cao; Yong-Wang Li; Jianguo Wang; Haijun Jiao 📂 Article 📅 2007 🏛 John Wiley and Sons ⚖ 11 KB 👁 2 views

Structure and Dynamics of the Aniline−Ar

Structure and Dynamics of the Aniline−Argon Complex as Derived from its Potential Energy Surface

✍ Makarewicz, Jan 📂 Article 📅 2007 🏛 American Chemical Society 🌐 English ⚖ 271 KB

Surface Structure of Hydroxylated and Su

Surface Structure of Hydroxylated and Sulfated Zirconia. A Periodic Density-Functional Study †

✍ Hofmann, Alexander; Sauer, Joachim 📂 Article 📅 2004 🏛 American Chemical Society 🌐 English ⚖ 987 KB

Ab initio and density functional theory

Ab initio and density functional theory studies of the potential energy surface of the LiNC → LiCN isomerization

✍ Branko S. Jursic 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 679 KB

Density functional study on the bioactiv

Density functional study on the bioactivity of ellagic acid, its derivatives and metabolite

✍ Jiaheng Zhang; Yanmei Xiong; Bing Peng; Haixiang Gao; Zhiqiang Zhou 📂 Article 📅 2011 🏛 Elsevier 🌐 English ⚖ 525 KB

The structural and electronic properties of ellagic acid (EA), its derivatives and metabolites are investigated at the density functional level. Analysis shows that the compounds display estrogenic activity due to the type and number of biophores in their molecular structures. This study explores bo