Fast and Accurate Electrostatics in Metal Organic Frameworks with a Robust Charge Equilibration Parameterization for High-Throughput Virtual Screening of Gas Adsorption

Title
Fast and Accurate Electrostatics in Metal Organic Frameworks with a Robust Charge Equilibration Parameterization for High-Throughput Virtual Screening of Gas Adsorption
Authors
Keywords
-
Journal
Journal of Physical Chemistry Letters
Volume 4, Issue 18, Pages 3056-3061
Publisher
American Chemical Society (ACS)
Online
2013-08-28
DOI
10.1021/jz401479k

Ask authors/readers for more resources

Create your own webinar

Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.

Create Now

Become a Peeref-certified reviewer

The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.

Get Started