How Many Water Molecules in the Hydration Shell of 18-Crown-6? Monte Carlo Simulations Based on ab Initio-Derived Potential Energy Surface-Reference-Cited by-同舟云学术

How Many Water Molecules in the Hydration Shell of 18-Crown-6? Monte Carlo Simulations Based on ab Initio-Derived Potential Energy Surface

Published:2003-04-02 Issue:17 Volume:107 Page:4175-4181
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Krongsuk Sriprajak¹,Kerdcharoen Teerakiat¹,Hannongbua Supot¹

Affiliation:

1. Physics Department, Faculty of Science, Mahidol University, Bangkok 10400, Thailand, and Chemistry Department, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp026762t

Reference35 articles.

1. An Ab Initio Investigation of the Structure and Alkali Metal Cation Selectivity of 18-Crown-6

2. The Nature of K+/Crown Ether Interactions: A Hybrid Quantum Mechanical-Molecular Mechanical Study

3. Ab Initio Study of M+:18-Crown-6 Microsolvation

4. Monte Carlo study of the conformation-dependent hydration of the 18-crown-6 macrocycle

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5. Effect of Temperature on the Process of Hydrophobic Hydration. Part II. Hydrophobic Hydration of 15-Crown-5 and 18-Crown-6 Ethers;Journal of Chemical & Engineering Data;2010-09-20