تحميل...
Comparison of some dispersion-corrected and traditional functionals as applied to peptides and conformations of cyclohexane derivatives
We compare the energetic and structural properties of fully optimized α-helical and antiparallel β-sheet polyalanines and the energetic differences between axial and equatorial conformations of three cyclohexane derivatives (methyl, fluoro, and chloro) as calculated using several functionals designe...
محفوظ في:
| المؤلفون الرئيسيون: | , , |
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| التنسيق: | Artigo |
| اللغة: | Inglês |
| منشور في: |
American Institute of Physics
2012
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| الموضوعات: | |
| الوصول للمادة أونلاين: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3416875/ https://ncbi.nlm.nih.gov/pubmed/22852599 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4737517 |
| الوسوم: |
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