लोड हो रहा है...
Applicability of Tail Corrections in the Molecular Simulations of Porous Materials
[Image: see text] Molecular simulations with periodic boundary conditions require the definition of a certain cutoff radius, r(c), beyond which pairwise dispersion interactions are neglected. For the simulation of homogeneous phases the use of tail corrections is well-established, which can remedy t...
में बचाया:
| में प्रकाशित: | J Chem Theory Comput |
|---|---|
| मुख्य लेखकों: | , , |
| स्वरूप: | Artigo |
| भाषा: | Inglês |
| प्रकाशित: |
American
Chemical Society
2019
|
| ऑनलाइन पहुंच: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7445744/ https://ncbi.nlm.nih.gov/pubmed/31442035 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.9b00586 |
| टैग : |
टैग जोड़ें
कोई टैग नहीं, इस रिकॉर्ड को टैग करने वाले पहले व्यक्ति बनें!
|