✦ LIBER ✦

High-spin binuclear cyclopentadienyliron chlorides: a density functional theory study

✍ Scribed by Congzhi Wang, Xiuhui Zhang, Yang Bai, Fengxin Gao…

Book ID: 120923179
Publisher: Springer-Verlag
Year: 2013
Tongue: English
Weight: 533 KB
Volume: 19
Category: Article
ISSN: 1610-2940
DOI: 10.1007/s00894-013-1826-8

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Binuclear methylene and difluoromethylen

Binuclear methylene and difluoromethylene iron carbonyls: A density functional theory study

✍ Wu, Yan; Luo, Qiong; Wang, Chaoyang; Li, Qian-shu; Xie, Yaoming; Bruce King, R. 📂 Article 📅 2013 🏛 Elsevier Science 🌐 English ⚖ 834 KB

Infrared and Raman spectra of binuclear

Infrared and Raman spectra of binuclear aromatic molecules: a density functional theory study

✍ Fabrizia Negri; Giorgio Orlandi 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 325 KB 👁 2 views

The vibrational force Ðelds of trans-stilbene, cis-stilbene, trans-4,4º-diÑuorostilbene and trans-azobenzene were computed by employing gradient corrected density functional theory. Raman intensities were evaluated by numerical second di †erentiation of energy gradients and used together with comput

Density functional theory study of the m

Density functional theory study of the magnetic coupling interaction in a series of binuclear oxalate complexes

✍ Marko Perić; Matija Zlatar; Maja Gruden-Pavlović; Sonja Grubišić 📂 Article 📅 2012 🏛 Springer Vienna 🌐 English ⚖ 438 KB

Peptide Hydrolysis by the Binuclear Zinc

Peptide Hydrolysis by the Binuclear Zinc Enzyme Aminopeptidase from Aeromonas proteolytica : A Density Functional Theory Study

✍ Chen, Shi-Lu; Marino, Tiziana; Fang, Wei-Hai; Russo, Nino; Himo, Fahmi 📂 Article 📅 2008 🏛 American Chemical Society 🌐 English ⚖ 468 KB

Spin–orbit coupling effect on Au–C60 int

Spin–orbit coupling effect on Au–C60 interaction: A density functional theory study

✍ Qun Zeng; Xiang Chu; Mingli Yang; De-Yin Wu 📂 Article 📅 2012 🏛 Elsevier Science 🌐 English ⚖ 662 KB

Solubility of Sodium in Sodium Chloride:

Solubility of Sodium in Sodium Chloride: A Density Functional Theory Molecular Dynamics Study

✍ Liu, M.; Masset, P.; Gray-Weale, A. 📂 Article 📅 2014 🏛 The Electrochemical Society 🌐 English ⚖ 760 KB