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Why the Standard B3LYP/6-31G* Model Chemistry Should Not ... | ResearchHub
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Why the Standard B3LYP/6-31G* Model Chemistry Should Not Be Used in DFT Calculations of Molecular Thermochemistry: Understanding and Correcting the Problem
0
Authors
Holger Kruse
2 more
Holger Kruse
•
Lars Goerigk
•
Stefan Grimme
Published
November 15, 2012
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Journal
The Journal of Organic Chemistry
Topics
Physics
Organic Chemistry
Chemistry
Physical Chemistry
Computational Chemistry
Show all topics
DOI
10.1021/jo302156p
