𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A molecular dynamics study of the isotopic substitution effects on the lineshape of an internal mode in a molecular crystal

✍ Scribed by Gianni Cardini; Vincenzo Schettino

Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
574 KB
Volume
200
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Odd–even effects in the homologous serie
Odd–even effects in the homologous series of alkyl-cyanobiphenyl liquid crystals: A molecular dynamic study
✍ Mine Ilk Capar; Emine Cebe πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 458 KB

## Abstract For the first five members of the homologous series of 4‐__n__‐alkyl‐4′‐cyanobiphenyls in the nematic and isotropic phases, molecular dynamics (MD) simulations were performed by using a united atom model. An odd–even effect was seen to be found in the molecular length, width, biaxiality

A Molecular Dynamics Study on the Oxygen
A Molecular Dynamics Study on the Oxygen Diffusion in Doped Fluorites: The Effect of the Dopant Distribution
✍ A. TarancΓ³n; A. Morata; F. PeirΓ³; G. Dezanneau πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons 🌐 English βš– 957 KB

The effect of the dopant distribution on the oxygen diffusion in doped fluorites typically used for solid oxide fuel cells electrolyte applications has been analysed by using molecular dynamics simulations. The oxygen mass transport in both yttria-stabilized zirconia (YSZ) and gadolinia-doped ceria

Effect of phosphorothioate chirality on
Effect of phosphorothioate chirality on the grooves of DNA double helices: A molecular dynamics study
✍ Shayantani Mukherjee; Dhananjay Bhattacharyya πŸ“‚ Article πŸ“… 2004 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 453 KB πŸ‘ 2 views

## Abstract Phosphorothioate oligonucleotides (PS–ODNs) have gained considerable attention in drug therapy, primarily as potent antisense or antigene oligomers, which bind to specific DNA or mRNA sequences and lead to transcriptional or translational arrest. These are obtained by substituting one o

Early events in the folding of an amphip
Early events in the folding of an amphipathic peptide: A multinanosecond molecular dynamics study
✍ Christophe Chipot; Bernard Maigret; Andrew Pohorille πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 380 KB πŸ‘ 2 views

Folding of the capped LQQLLQQL-LQL peptide is investigated at the water-hexane interface by molecular dynamics simulations for 161.5 ns. Initially placed in the aqueous phase as a ␀-strand, the peptide rapidly adsorbs to the interface, where it adopts an amphipathic conformation. The marginal presen