Zobrazeno 1 - 7
of 7
pro vyhledávání: '"George Dhimba"'
Publikováno v:
Molecules, Vol 27, Iss 3, p 962 (2022)
Modelling of the proline (1) catalyzed aldol reaction (with acetone 2) in the presence of an explicit molecule of dimethyl sulfoxide (DMSO) (3) has showed that 3 is a major player in the aldol reaction as it plays a double role. Through strong intera
Externí odkaz:
https://doaj.org/article/2b17481a39944619bcbe9558867d9225
Publikováno v:
ChemCatChem, 15(1):e202201031, 1-7. Wiley-VCH Verlag GmbH & CO. KGaA
Dhimba, G, Muller, A & Lammertsma, K 2023, ' A Computational Study of the MoO 2 (acac) 2 Catalyzed Epoxidation of Ethylene with Hydrogen Peroxide and t-Butyl Hydroperoxide ', ChemCatChem, vol. 15, no. 1, e202201031, pp. 1-7 . https://doi.org/10.1002/cctc.202201031
Dhimba, G, Muller, A & Lammertsma, K 2023, ' A Computational Study of the MoO 2 (acac) 2 Catalyzed Epoxidation of Ethylene with Hydrogen Peroxide and t-Butyl Hydroperoxide ', ChemCatChem, vol. 15, no. 1, e202201031, pp. 1-7 . https://doi.org/10.1002/cctc.202201031
The cis-MoO2(acac)2 catalyzed epoxidation of ethylene by H2O2 or tert-butyl hydroperoxide (TBHP) was studied by density functional theory at ωB97x–D using the 6-31G(d,p) and 6-311G(2d,p) basis sets and the PCM model to include the effect of aceton
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d4ce0fe49fe365333c14fe584a377e78
https://research.vu.nl/en/publications/f7265b7d-0160-4232-93c5-bd8dae373c9f
https://research.vu.nl/en/publications/f7265b7d-0160-4232-93c5-bd8dae373c9f
Publikováno v:
Inorganic Chemistry, 61(38), 14918-14923. American Chemical Society
Dhimba, G, Muller, A & Lammertsma, K 2022, ' Racemization Pathway for MoO 2 (acac) 2 Favored over Ray-Dutt, Bailar, and Conte-Hippler Twists ', Inorganic Chemistry, vol. 61, no. 38, pp. 14918-14923 . https://doi.org/10.1021/acs.inorgchem.2c00824
Dhimba, G, Muller, A & Lammertsma, K 2022, ' Racemization Pathway for MoO 2 (acac) 2 Favored over Ray-Dutt, Bailar, and Conte-Hippler Twists ', Inorganic Chemistry, vol. 61, no. 38, pp. 14918-14923 . https://doi.org/10.1021/acs.inorgchem.2c00824
Chiral cis-MoO2(acac)2racemizes via four pathways that agree with and extend upon Muetterties' topological analysis for dynamic MX2(chel)2complexes. Textbook Ray-Dutt and Bailar twists are the least favored with barriers of 27.5 and 28.7 kcal/mol, re
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5e3ae0ec2f9c894abba9d6d2bb7cbbc0
https://research.vu.nl/en/publications/7b58a979-22cf-4a54-8b3d-127b5faf8516
https://research.vu.nl/en/publications/7b58a979-22cf-4a54-8b3d-127b5faf8516
Publikováno v:
Inorganic chemistry. 61(38)
Chiral
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::23086e02fc72f56d1de40676ab03b2c7
https://pubmed.ncbi.nlm.nih.gov/35980189
https://pubmed.ncbi.nlm.nih.gov/35980189
Publikováno v:
Molecules, Vol 27, Iss 962, p 962 (2022)
Molecules; Volume 27; Issue 3; Pages: 962
Molecules; Volume 27; Issue 3; Pages: 962
Modelling of the proline (1) catalyzed aldol reaction (with acetone 2) in the presence of an explicit molecule of dimethyl sulfoxide (DMSO) (3) has showed that 3 is a major player in the aldol reaction as it plays a double role. Through strong intera
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6b4621dca14c359e3bfbae64395992fc
https://www.mdpi.com/1420-3049/27/3/962
https://www.mdpi.com/1420-3049/27/3/962
Publikováno v:
Journal of Molecular Structure. 1179:100-107
A new set of mesoionic 1,2,3-triazolium salts functionalised by para substituted phenoxymethyl side groups were prepared using the ‘click’ Cu catalyzed [3 + 2] cycloaddition of organic azides and terminal alkynes. Four previously unreported neutr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::319e8ff13d723024c49018017dc2bae3
https://doi.org/10.1016/j.molstruc.2018.10.095
https://doi.org/10.1016/j.molstruc.2018.10.095
Publikováno v:
Physical chemistry chemical physics : PCCP. 21(30)
A REP-FAMSEC (reaction energy profile-fragment attributed molecular system energy change) protocol designed to explain each consecutive energy change along the reaction pathway is reported. It mainly explores interactions between meaningful polyatomi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::93e5bea22e2b855933e5c8d235365f7c
https://pubmed.ncbi.nlm.nih.gov/31321390
https://pubmed.ncbi.nlm.nih.gov/31321390