𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A Computational Study of the Sub-monolayer Growth of Pentacene

✍ Scribed by D. Choudhary; P. Clancy; R. Shetty; F. Escobedo


Publisher
John Wiley and Sons
Year
2006
Tongue
English
Weight
476 KB
Volume
16
Category
Article
ISSN
1616-301X

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


A computational study of the LiH dimer
✍ Sean A. C. McDowell πŸ“‚ Article πŸ“… 2003 πŸ› John Wiley and Sons 🌐 English βš– 86 KB πŸ‘ 1 views

## Abstract A theoretical study of the properties of the linear LiH dimer was undertaken. In this dimer, an unusual type of hydrogen bonding (termed β€œinverse” hydrogen bonding by some authors), which involves the hydrogen bonded molecule acting as an electron donor (rather than as a proton donor),

A computational study of the reaction of
✍ Richard D. Gilliom πŸ“‚ Article πŸ“… 1984 πŸ› John Wiley and Sons 🌐 English βš– 372 KB

The activation energy and optimized transition-state geometry for the abstraction of a hydrogen atom from methane by methyl radical have been calculated by the semiempirical methods MIND0/3 and MNDo. These results are compared with other semiempirical and ab initio results. The MINDO/3 method, based

A Computational Study of the Stereoselec
✍ Markus Drees; Lillian Kleiber; Martin Weimer; Thomas Strassner πŸ“‚ Article πŸ“… 2002 πŸ› John Wiley and Sons 🌐 English βš– 124 KB πŸ‘ 1 views

The antiinflammatory drug Naproxen has been synthesized via several enantioselective routes. The recently published synthesis involving the asymmetric decarboxylation of 2-cyano-2-(6-methoxy-naphth-2-yl)propionic acid (H. Brunner, P. Schmidt, Eur. J. Org. Chem. 2000, 2119) was investigated by quantu

A comparative study on the growth of GaS
✍ Dr. F. Moravec; Dipl.-Krist. Y. Tomm πŸ“‚ Article πŸ“… 1987 πŸ› John Wiley and Sons 🌐 English βš– 233 KB πŸ‘ 1 views
A computational study of the reaction ki
✍ R. J. Berry; Paul Marshall πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 153 KB πŸ‘ 2 views

Ab initio calculations have been used to characterize the transition states for halogen abstraction by CH 3 in reactions with CF 4 , CF 3 Cl, CF 3 Br, and CF 3 I (1-4). Geometries and frequencies were obtained at the HF/6-31G(d) and levels of theory. En-MP2 Ο­ full/6-31G(d) ergy barriers were compute