✦ LIBER ✦

First-principles time-dependent density-functional theory study of functionalized benzo[b]thiophenes

✍ Scribed by V. Vitale; F. Della Sala; R. Cingolani

Book ID: 104556050
Publisher: John Wiley and Sons
Year: 2004
Tongue: English
Weight: 138 KB
Volume: 1
Category: Article
ISSN: 1862-6351
DOI: 10.1002/pssc.200304038

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

: A time-dependent density-functional-th

: A time-dependent density-functional-theory study

✍ Chu, Xi; Groenenboom, Gerrit C. 📂 Article 📅 2013 🏛 The American Physical Society 🌐 English ⚖ 843 KB

Computational studies of CO and CO+: Den

Computational studies of CO and CO+: Density functional theory and time-dependent density functional theory

✍ Delmar Marshall 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 484 KB

Potential energy curves, equilibrium interatomic distances, term energies and harmonic vibration frequencies for the 16 lowest states of neutral carbon monoxide and the six lowest states of singly ionized carbon monoxide are calculated by density functional theory (DFT) and linear-response time-depe

Third conformer of graphane: A first-pri

Third conformer of graphane: A first-principles density functional theory study

✍ Bhattacharya, A.; Bhattacharya, S.; Majumder, C.; Das, G. P. 📂 Article 📅 2011 🏛 The American Physical Society 🌐 English ⚖ 423 KB

Spectroscopic and density functional the

Spectroscopic and density functional theory study of functionalized thiophene–benzene derivatives

✍ Keith C. Gordon; Samuel MacArthur; Tracey M. Clarke; David L. Officer; Pawel Wag 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 403 KB

First principles calculation of field em

First principles calculation of field emission from nanostructures using time-dependent density functional theory: A simplified approach

✍ Sherif A. Tawfik; S.M. El-Sheikh; N.M. Salem 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 449 KB

Studies of trans-polyacetylene chain usi

Studies of trans-polyacetylene chain using the first-principles density-functional theory

✍ Paloheimo, J.; Von Boehm, J. 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 239 KB