Výsledky vyhledávání - "María Pilar Gema Rodríguez Ortega"

Stabilizing factors of the molecular structure in silicon-based peptidomimetics in gas-phase and water solution. Assessment of the correlation between different descriptors of hydrogen bond strength

Autor: Manuel Montejo, María Pilar Gema Rodríguez Ortega, Juan Jesús López González

Publikováno v: Journal of Molecular Modeling. 19:4293-4304

The use of DFT (B3LYP and M06L) and ab initio (MP2) computational methods allowed us to perform a thorough conformational study of N-[dihydroxy (methyl)silyl]methylformamide (DHSF) and 3-[dihydroxy (methyl) silyl] propanamide (DHSP), that could be co

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ed42ca8f02053209d319015d860f41a9
https://doi.org/10.1007/s00894-013-1945-2

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