✦ LIBER ✦

Theoretical studies of the relative stabilities and electronic properties on B endohedral and exohedral fullerenes

✍ Scribed by X.M. Pan; Z. Fu; B. Hong; L. Zhao; Y.Q. Qiu; Z.M. Su; R.S. Wang

Book ID: 116897765
Publisher: Elsevier Science
Year: 2005
Tongue: English
Weight: 608 KB
Volume: 152
Category: Article
ISSN: 0379-6779
DOI: 10.1016/j.synthmet.2005.07.227

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Theoretical Studies on the Structures, S

Theoretical Studies on the Structures, Stabilities, Vibrational Spectra, and Thermodynamic Properties of Polynitromethylbenzenes

✍ Guixiang Wang; Xuedong Gong; Yan Liu; Heming Xiao 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 132 KB 👁 2 views

Structural relationships and theoretical

Structural relationships and theoretical study of electron transfer kinetic properties of Vitamins B1 and B2 with fullerenes

✍ Jafari Ahmad; Taherpour Avat (Arman) 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 55 KB

Theoretical study on the stability and e

Theoretical study on the stability and electronic property of Ag2SnO3

✍ J. Feng; B. Xiao; J.C. Chen; C.T. Zhou 📂 Article 📅 2009 🏛 Elsevier Science 🌐 English ⚖ 906 KB

Theoretical studies on the structural, e

Theoretical studies on the structural, electronic, and optical properties of Cu2CdGeSe4

✍ Dan Li; Furi Ling; Zhenye Zhu; Xinghong Zhang 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 316 KB

We investigate the electronic structure for Cu 2 CdGeSe 4 in stannite structure with the first-principles method. This crystal is the direct band gap compound. In addition, the dielectric function, absorption coefficient, reflectivity, and energy-loss function are studied using the density functiona

First principles study of the relative s

First principles study of the relative stability and the electronic properties of GaN

✍ O. Arbouche; B. Belgoumène; B. Soudini; M. Driz 📂 Article 📅 2009 🏛 Elsevier Science 🌐 English ⚖ 865 KB

Theoretical studies on the structure and

Theoretical studies on the structure and electronic properties of aryl sulfides and sulfones

✍ John O. Morley 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 297 KB 👁 2 views

Molecular orbital calculations are reported on the structure and electronic properties of diphenyl sulfide using both semiempirical and ab initio methods. Neither the MNDO nor AM1 methods give satisfactory structures, but better results are obtained with the PM3 method. At the ab initio level, the 4