Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Prof. Pratim Kumar Chattaraj"'
Publikováno v:
ChemistryOpen, Vol 13, Iss 4, Pp n/a-n/a (2024)
Abstract The activation of H2 by pyramidalized boron‐based frustrated Lewis Pairs (FLPs) (B/E‐FLP systems where “E” refers to N, P, As, Sb, and Bi) have been explored using density functional theory (DFT) based computational study. The activa
Externí odkaz:
https://doaj.org/article/34cb0e3507a945a2b266d46df3e7f97c
Publikováno v:
Chemistry. 4:1723-1756
The term hypercoordination refers to the extent of the coordination of an element by its normal value. In the hypercoordination sphere, the element can achieve planar and/or non-planar molecular shape. Hence, planar hypercoordinate carbon species vio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::71d35cbb8dec89c5a938bf3528660a9c
https://doi.org/10.3390/chemistry4040113
https://doi.org/10.3390/chemistry4040113
Publikováno v:
Pharmaceuticals (Basel, Switzerland). 15(11)
The preclinical drug discovery stage often requires a large amount of costly and time-consuming experiments using huge sets of chemical compounds. In the last few decades, this process has undergone significant improvements by the introduction of qua
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1bfbc9ebbae74970733728d7fe1b354f
https://pubmed.ncbi.nlm.nih.gov/36355555
https://pubmed.ncbi.nlm.nih.gov/36355555
Publikováno v:
Molecules; Volume 27; Issue 24; Pages: 8683
A density functional theory study is performed to determine the stability and bonding in the neon dimer inside the B30N30 fullerene cage, the fluxional B40 cage, and within non-fluxional cages such as B12N12 and C60. The nature of bonding in the Ne2
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5dc31c4a03a47cdc1a9b9a30e5291635
https://doi.org/10.3390/molecules27248683
https://doi.org/10.3390/molecules27248683