✦ LIBER ✦

Conformational Features of an Actuator Containing Calix[4]arene and Thiophene: A Molecular Dynamics Study

✍ Scribed by Zanuy, David; Casanovas, Jordi; Alemán, Carlos

Book ID: 127006322
Publisher: American Chemical Society
Year: 2006
Tongue: English
Weight: 416 KB
Volume: 110
Category: Article
ISSN: 0022-3654
DOI: 10.1021/jp060680d

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Crown ether conformations in 1,3-calix[4

Crown ether conformations in 1,3-calix[4]arene bis(crown ethers): crystal structures of a caesium complex and solvent adducts and molecular dynamics simulations *

✍ Thuéry,, Pierre; Nierlich, Martine; Bryan, Jeffrey C.; Lamare, Véronique; Dozol, 📂 Article 📅 1997 🏛 The Royal Society of Chemistry 🌐 English ⚖ 274 KB

Influence of laterally attached alkyl gr

Influence of laterally attached alkyl groups on the conformational behaviour of a basic calix[4]arene: combined NMR, molecular mechanics and X-ray study

✍ Gruner, Margit; Fischer, Conrad; Gruber, Tobias; Weber, Edwin 📂 Article 📅 2010 🏛 Taylor and Francis Group 🌐 English ⚖ 473 KB

Molecular dynamics of a calix[4]arene-co

Molecular dynamics of a calix[4]arene-containing polymer in dichloromethane solution: Ability of the solvent molecules to fill the cavity of the macrocycle

✍ Francisco Rodríguez-Ropero; David Zanuy; Carlos Alemán 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 482 KB

## Abstract The structure and dynamics of the dichloromethane solvent around the calix[4]arene units contained in the molecular actuator poly(calix[4]arene bis‐bithiophene) have been examined using a 1‐μs molecular dynamics simulation. Results indicate that a solvent molecule fills the cavity assoc