Enhancing performance and advancing methodology: A benchmak study using the custom dp4+ tool

Vol 2, 2023 - 162820
Pôster / Poster
Download
Favorite this paper
How to cite this paper?
Abstract

Maximizing potential: improving the precision and reliability of structural determination in NMR studies.
36 new tools developed from 36 different combinations of theory levels.
The results are comparable to the best level of the original tool, all tools will be made available for use.

Share your ideas or questions with the authors!

Did you know that the greatest stimulus in scientific and cultural development is curiosity? Leave your questions or suggestions to the author!

Sign in to interact

Have a question or suggestion? Share your feedback with the authors!

Institutions
  • 1 Universidade Federal Fluminense / Programa de Pós-Graduação Mestrado e Doutorado
  • 2 Universidade Federal Fluminense / Instituto de Química
  • 3 Universidad Nacional de Rosario / Chimica / Chimica
Track
  • Development and/or implementation of Method/Theory
Keywords
Benchmark; DP4+ tool; NMR