𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Quantum Chemical Study of Structures, Electronic Spectrum, and Nonlinear Optical Properties of Gold−Pentacene Complexes

✍ Scribed by Yang, Guochun; Fang, Liang; Tan, Ke; Shi, Shaoqing; Su, Zhongmin; Wang, Rongshun

Book ID
126475652
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
154 KB
Volume
26
Category
Article
ISSN
0276-7333

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Quantum chemical study of structures, el
Quantum chemical study of structures, electronic spectrum, and nonlinear optical properties of polynuclear lithium compounds
✍ Chunsheng Qin; Yanling Si; Guochun Yang; Zhongmin Su 📂 Article 📅 2011 🏛 Elsevier 🌐 English ⚖ 746 KB

A theoretical study of polynuclear lithium compounds has shown that these species display large calculated nonlinear optical (NLO) responses. These compounds are based on aromatic subunits connected through polyhedral inorganic core (Li 7 O 6 or Li 8 O 6 ). These compounds show the calculated first

Structural, electronic, and optical prop
Structural, electronic, and optical properties of 9-heterofluorenes: A quantum chemical study
✍ Run-Feng Chen; Chao Zheng; Qu-Li Fan; Wei Huang 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 318 KB 👁 1 views

## Abstract Density‐functional theory studies were applied to investigate the structural, electronic, and optical properties of 9‐heterofluorenes achieved by substituting the carbon at 9 position of fluorene with silicon, germanium, nitrogen, phosphor, oxygen, sulfur, selenium, or boron. These hete

Electronic and structural properties of
Electronic and structural properties of montmorillonite—a quantum chemical study
✍ A. Chatterjee; T. Iwasaki; H. Hayashi; T. Ebina; K. Torii 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 165 KB

The importance of geometry and its relation with property in montmorillonite have been studied in terms of octahedral Ž . aluminum and tetrahedral silicon present in the framework. Quantum chemical QC calculations were performed using Ž . Ž . MNDO modified neglect of differential overlap and DFT den