When is the Fukui Function Not Normalized? The Danger of Inconsistent Energy Interpolation Models in Density Functional Theory

标题
When is the Fukui Function Not Normalized? The Danger of Inconsistent Energy Interpolation Models in Density Functional Theory
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 12, Issue 12, Pages 5777-5787
出版商
American Chemical Society (ACS)
发表日期
2016-11-05
DOI
10.1021/acs.jctc.6b00494

向作者/读者发起求助以获取更多资源

Find Funding. Review Successful Grants.

Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.

Explore

Ask a Question. Answer a Question.

Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.

Get Started