𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Molecular dynamics and the structure of macrocycles —Solvent acetonitrile interactions

✍ Scribed by Meizhen Xu; Sergio Petrucci; Edward M. Eyring


Publisher
Springer Netherlands
Year
1992
Tongue
English
Weight
640 KB
Volume
12
Category
Article
ISSN
0923-0750

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


On the molecular electron structure of t
✍ V. R. Ferro; R. López; S. Omar; J. M. García De La Vega 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 355 KB

## Abstract A broad set of structural models and theoretical methods has been successfully used for studying both the molecular electron structure of the silacalix[**3**]phosphinine and the changes of the macrocycle core under the conditions that frequently correspond to its complexes with metals.

Activation energy barriers in the molecu
✍ Meizhen Xu; Edward M. Eyring; Sergio Petrucci 📂 Article 📅 1991 🏛 John Wiley and Sons 🌐 English ⚖ 388 KB

Ultrasonic relaxation spectra of LiC104 plus the open chain polyether triglyme (TG) at CLiCl04 = 0.8 M, molar ratio R = [TG]/[LiC104] = 1, and at temperatures of 15, 25, 35, and 45°C in dry acetonitrile are reported. Corresponding spectra for LiC104 plus the macrocycle 12-crown-4 (12C4) at R = [12C4

The entropy driven hydrophobic effect as
✍ Pavel Jungwirth; Rudolf Zahradník 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 519 KB

The character of the water-induced interaction between two non-polar solutes as a function of the solute-solvent attraction and the solute size is studied via a molecular dynamics simulation. The results are quantified in terms of the solvent-induced potential of mean association/disscciation, the e

Interplay of Interactions Governing the
✍ Victoria E. Campbell; Xavier de Hatten; Nicolas Delsuc; Brice Kauffmann; Ivan Hu 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 572 KB

## Abstract **Systemic change**: A system of transformations between helical structures was observed to be governed by interactions mediated by the electronic effects of substituents, entropic effects, the conformational preferences of organic building blocks, and the coordinative preferences of th

The effects of solvent and temperature o
✍ Hsuan-Liang Liu; Chia-Ming Hsu 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 370 KB

In this study, the secondary structural integrity of monomeric melittin was shown to depend strongly on the solvent by 200 ps molecular dynamics simulations with temperature jump technique. The a-helix content of melittin increased with increasing the aliphatic chain length of alcohol and decreased