A carregar...
Correlations between Density-Based Bond Orders and Orbital-Based Bond Energies for Chemical Bonding Analysis
[Image: see text] Quantum chemistry-based codes and methods provide valuable computational tools to estimate reaction energetics and elucidate reaction mechanisms. Electronic structure methods allow directly studying the chemical transformations in molecular systems involving breaking and making of...
Na minha lista:
| Publicado no: | J Phys Chem C Nanomater Interfaces |
|---|---|
| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical
Society
2019
|
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6394209/ https://ncbi.nlm.nih.gov/pubmed/30842801 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcc.8b08934 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|