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pro vyhledávání: '"Vikrant Tripathy"'
Publikováno v:
Journal of chemical theory and computation. 18(10)
Hybrid methods such as ONIOM that treat different regions of a large molecule using different methods are widely used to investigate chemical reactions in a variety of materials and biological systems. However, there are inherent sources of significa
Electrostatically embedded molecules‐in‐molecules approach and its application to molecular clusters
Publikováno v:
Journal of Computational Chemistry. 42:719-734
We report the application of our fragment-based quantum chemistry model MIM (Molecules-In-Molecules) with electrostatic embedding. The method is termed "EE-MIM (Electrostatically Embedded Molecules-In-Molecules)" and accounts for the missing electros
Autor:
Yanyao Liu, Dongshun Ni, Bernard G. Stevenson, Vikrant Tripathy, Sarah E. Braley, Krishnan Raghavachari, John R. Swierk, M. Kevin Brown
Publikováno v:
Angew Chem Int Ed Engl
A new strategy for the synthesis of highly versatile cyclobutylboronates via the photosensitized [2+2]-cycloaddition of alkenylboronates and alkenes is presented. The process is mechanistically different from other processes in that energy transfer o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::38df24a57b6604e8368a14d832894d41
https://europepmc.org/articles/PMC9189050/
https://europepmc.org/articles/PMC9189050/