Ab Initio Molecular Dynamics Study of Mg2+ and Ca2+ Ions in Liquid Methanol-Reference-Cited by-同舟云学术

Ab Initio Molecular Dynamics Study of Mg2+ and Ca2+ Ions in Liquid Methanol

Published:2007-12-18 Issue:1 Volume:4 Page:156-163
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Faralli Cristian¹,Pagliai Marco¹,Cardini Gianni¹,Schettino Vincenzo¹

Affiliation:

1. Laboratorio di Spettroscopia Molecolare, Dipartimento di Chimica, Università di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Firenze, Italia, and European Laboratory for Nonlinear Spectroscopy (LENS), via Nello Carrara 1, 50019 Sesto Fiorentino, Firenze, Italia

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct700209v

Reference101 articles.

1. Dynamical properties of liquid water from ab initio molecular dynamics performed in the complete basis set limit

2. Molecular Dynamics Simulation of Liquid Water: Hybrid Density Functionals

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