Revisiting the Structure of (LiCH3)n Aggregates Using Car−Parrinello Molecular Dynamics-Reference-Cited by-同舟云学术

Revisiting the Structure of (LiCH3)n Aggregates Using Car−Parrinello Molecular Dynamics

Published:2006-03-17 Issue:14 Volume:110 Page:4787-4794
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Gérard Hélène¹,de la Lande Aurélien¹,Maddaluno Jacques¹,Parisel Olivier¹,Tuckerman Mark E.¹

Affiliation:

1. Université Pierre et Marie Curie − Paris 6, Laboratoire de Chimie Théorique, UMR 7616, CC 137, 4 place Jussieu, 75252 Paris Cedex 05, France, CNRS, UMR 7616, 75005 Paris, France, Laboratoire des Fonctions Azotées & Oxygénées Complexes de l'IRCOF, UMR 6014 CNRS, Université de Rouen, 76821 Mont-Saint-Aignan Cedex, France, and Department of Chemistry and Courant Institute of Mathematical Sciences, New York University, 100 Washington Square East, New York, New York 10003

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp056326h

Reference62 articles.

1. Density functional study of structure and bonding in lithium clusters Lin and their oxides LinO

2. Fluctuations and Bonding in Lithium Clusters

3. The role of quantum and thermal fluctuations upon properties of lithium clusters

4. Hydration of Li+ ion. An ab initio molecular dynamics simulation

5. Lithium(I) ion hydration: a QM/MM-MD study

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