Zobrazeno 1 - 10
of 145
pro vyhledávání: '"Yan-Bo Wu"'
Publikováno v:
Communications Chemistry, Vol 5, Iss 1, Pp 1-7 (2022)
Complexes possessing coordination spheres that can accommodate nine ligand atoms typically display spherical distributions of these atoms. Here, the authors predict that M-centered [OB-B7O7-BO] adopts unusual heptagonal bipyramidal nonacoordination.
Externí odkaz:
https://doaj.org/article/8981214517de4e91ae753ac0de44535c
Publikováno v:
Journal of Computational Chemistry. 44:1410-1417
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a86451692c3bbb630e000b579855ced5
https://doi.org/10.1002/jcc.27096
https://doi.org/10.1002/jcc.27096
Publikováno v:
The Journal of Organic Chemistry. 88:2750-2757
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::81963adf2c13068468801e71c504053a
https://doi.org/10.1021/acs.joc.2c02296
https://doi.org/10.1021/acs.joc.2c02296
Publikováno v:
Physical Chemistry Chemical Physics. 25:14695-14699
Ab initio molecular dynamics simulations under explicit solvent environments were performed to investigate the remarkable promotion effect of hexafluoroisopropanol (HFIP) solvent in Diels–Alder cycloadditions.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f07802a3b78fddf319c86ecc3ac05438
https://doi.org/10.1039/d3cp01021j
https://doi.org/10.1039/d3cp01021j
Searching for the maximum coordination number (CN) in planar species with novel bonding patterns has fascinated chemists for many years. Using the experimentally observed cyclo[18]carbon D9h C18 and theoretically predicted cyclo[14]carbon D7h C14 as
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ae405964131e85ec2501b00de1c014f6
https://doi.org/10.21203/rs.3.rs-2614379/v1
https://doi.org/10.21203/rs.3.rs-2614379/v1
Publikováno v:
Organic Chemistry Frontiers. 9:1033-1039
The anti-to-Cu 1,2-migration of alkynyl boronates is critical for the 1,1-E-selective difunctionalization of terminal alkynes with CO2 and organoboranes.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::12d7719998d5aac115961f371d1dd038
https://doi.org/10.1039/d1qo01788h
https://doi.org/10.1039/d1qo01788h
Publikováno v:
Chemical Communications. 58:13095-13098
To eliminate the chemical instability caused by the electron-deficiency of boron, two types of usual dative π bonds are recommended for compensating boron atoms in the computational design of boron-based clusters having hypercoordinate centres, whic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0130570a5795623ad565e5ebd35d3825
https://doi.org/10.1039/d2cc05654b
https://doi.org/10.1039/d2cc05654b
Publikováno v:
Organic Chemistry Frontiers. 9:2240-2248
The detailed mechanism of Cu-catalyzed 1,2-hydrocarboxylation of 1,3-dienes and origin of Cu-boryl additions have been investigated.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4505a692f5978fc946806997998e7642
https://doi.org/10.1039/d2qo00236a
https://doi.org/10.1039/d2qo00236a
Publikováno v:
Chemical Communications. 58:8650-8653
Energy decomposition analysis reveals that the regioselectivities of Ni-catalyzed LLHT with aryl- and alkyl-substituted alkenes are controlled by charge transfer and Pauli repulsion, respectively.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f647cb8fe69c4f69bcf8c6d863900e11
https://doi.org/10.1039/d2cc02691k
https://doi.org/10.1039/d2cc02691k
Publikováno v:
Organic Chemistry Frontiers. 9:979-988
The dominant factors for the CpX ligand effects (Cp* versus CpE) on the reactivity for alkyne insertion into cationic and neutral rhodacycles are identified based on energy decomposition analysis.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ee483b77e054bd30442107ea9b0f3e19
https://doi.org/10.1039/d1qo01566d
https://doi.org/10.1039/d1qo01566d