𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical studies on the electronic spectra and second-order nonlinear optical properties of N-methyl-2-(2′-thiophene)-pyrrolo[3,4]C60

✍ Scribed by Yongjun Liu; Dongju Zhang; Haiquan Hu; Chengbu Liu


Book ID
114141491
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
170 KB
Volume
545
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Theoretical Studies on Electronic Spectr
✍ Jing-Dong Feng; Li-Kai Yan; Zhong-Min Su; Yu-He Kan; Ya-Qian Lan; Yi Liao; Yu-La 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 125 KB

## Abstract AM1 semi‐empirical method was used to optimize the barbituric acid derivatives substituted with glucosyl **B**~1–5~(series **B**), and the thiobarbituric acid derivatives substituted with glucosyl **T**~1–5~ (series**T**). Based on the optimized structures, INDO/CI method was adopted to

Theoretical studies on the structure and
✍ Jikang Feng; Aimin Ren; Weiquan Tian; Maofa Ge; Zhiru Li; Chiachung Sun; Xuehe Z 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 465 KB 👁 2 views

Possible isomers of Buckminsterfullerene derivatives C O and C O 60 2 60 3 are studied with the semiempirical quantum mechanical INDO method. The C O 60 2 isomer of C symmetry, where the epoxy oxygen atoms are on the 6᎐6 bond of a s hexagon, is found most stable. The C O isomer of C symmetry with a

Calculating the second-order nonlinear o
✍ Mohammed Benali Kanoun; Benoît Champagne 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 363 KB

## Abstract The static and the second harmonic generation second‐order nonlinear susceptibilities, χ^(2)^, of 3‐methyl‐4‐nitropyridine __N__‐oxide, 2‐carboxylic acid‐4‐nitropyridine‐1‐oxide, 2‐methyl‐4‐nitroaniline, and __m__‐nitroaniline crystals are calculated using a model that combines accurate