Zobrazeno 1 - 10
of 11
pro vyhledávání: '"Charles-Émile Fecteau"'
Autor:
Danny Lainé, Vincent Denavit, Olivier Lessard, Laurie Carrier, Charles-Émile Fecteau, Paul A. Johnson, Denis Giguère
Publikováno v:
Beilstein Journal of Organic Chemistry, Vol 16, Iss 1, Pp 2880-2887 (2020)
In this work, we have developed a simple synthetic approach using Et3N·3HF as an alternative to the DAST reagent. We controlled the stereochemistry of the nucleophilic fluorination at C4 of 1,6-anhydro-2,3-dideoxy-2,3-difluoro-4-O-triflate-β-ᴅ-ta
Externí odkaz:
https://doaj.org/article/600a449108ee4f15b50cba6d8a885b57
Autor:
Frédéric Lirette, Cyril Aumaitre, Charles-Émile Fecteau, Paul A. Johnson, Jean-François Morin
Publikováno v:
ACS Omega, Vol 4, Iss 12, Pp 14742-14749 (2019)
Externí odkaz:
https://doaj.org/article/12f0c313427b4f1a9ec4791d97229795
Publikováno v:
Organic Chemistry Frontiers. 9:6566-6572
A stereoselective strategy allowed the striking impact of a single halogen on the physical properties of inter-halide alkane units to be unravelled.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ac058c8e933029338ab4bff8b3995c7b
https://doi.org/10.1039/d2qo01433e
https://doi.org/10.1039/d2qo01433e
Near-exact treatment of seniority-zero ground and excited states with a Richardson-Gaudin mean-field
Autor:
Charles-Émile Fecteau, Samuel Cloutier, Jean-David Moisset, Jérémy Boulay, Patrick Bultinck, Alexandre Faribault, Paul A. Johnson
Publikováno v:
JOURNAL OF CHEMICAL PHYSICS
Eigenvectors of the reduced Bardeen-Cooper-Schrieffer (BCS) Hamiltonian, Richardson-Gaudin (RG) states, are used as a variational wavefunction ansatz for strongly correlated electronic systems. These states are geminal products whose coefficients are
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6aad6b6b93a3089909a98af2de0b7783
https://pubmed.ncbi.nlm.nih.gov/35597662
https://pubmed.ncbi.nlm.nih.gov/35597662
Publikováno v:
Journal of Mathematical Chemistry. 59:289-301
Geminal wavefunctions have been employed to model strongly-correlated electrons. These wavefunctions represent products of weakly-correlated pairs of electrons and reasonable approximations are computable with polynomial cost. In particular, Richards
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::73677871b1f7e0e6fab9173aab5cf0c4
https://doi.org/10.1007/s10910-020-01197-0
https://doi.org/10.1007/s10910-020-01197-0
Autor:
Olivier Lessard, Paul A. Johnson, Danny Lainé, Laurie Carrier, Charles-Émile Fecteau, Vincent Denavit, Denis Giguère
Publikováno v:
Beilstein Journal of Organic Chemistry, Vol 16, Iss 1, Pp 2880-2887 (2020)
Beilstein Journal of Organic Chemistry
Beilstein Journal of Organic Chemistry
In this work, we have developed a simple synthetic approach using Et3N·3HF as an alternative to the DAST reagent. We controlled the stereochemistry of the nucleophilic fluorination at C4 of 1,6-anhydro-2,3-dideoxy-2,3-difluoro-4-O-triflate-β-ᴅ-ta
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::860b01e295a246bfbe1321a6a106f6db
https://doaj.org/article/600a449108ee4f15b50cba6d8a885b57
https://doaj.org/article/600a449108ee4f15b50cba6d8a885b57
Publikováno v:
The Journal of chemical physics. 153(16)
Eigenvectors of the reduced Bardeen-Cooper-Schrieffer Hamiltonian have recently been employed as a variational wavefunction ansatz in quantum chemistry. This wavefunction is a mean-field of pairs of electrons (geminals). In this contribution, we repo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::945c3f64f73861eac457ed84cdbd3016
https://pubmed.ncbi.nlm.nih.gov/33138426
https://pubmed.ncbi.nlm.nih.gov/33138426
Autor:
Stijn De Baerdemacker, Paul A. Johnson, Patrick Bultinck, Marianne Gratton, Laurie Carrier, Samuel Cloutier, Charles-Émile Fecteau, Paul W. Ayers, Dimitri Van Neck, Peter A. Limacher, Frédéric Berthiaume
Publikováno v:
JOURNAL OF CHEMICAL PHYSICS
Ground state eigenvectors of the reduced Bardeen-Cooper-Schrieffer Hamiltonian are employed as a wavefunction ansatz to model strong electron correlation in quantum chemistry. This wavefunction is a product of weakly-interacting pairs of electrons. W
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2a481a91af40abea1f93a73888367a19
https://pubmed.ncbi.nlm.nih.gov/32933287
https://pubmed.ncbi.nlm.nih.gov/32933287
Publikováno v:
International Journal of Quantum Chemistry. 120
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::922df261c972993c60bb8cf377559720
https://doi.org/10.1002/qua.26255
https://doi.org/10.1002/qua.26255
Autor:
Paul A. Johnson, Frédéric Lirette, Charles-Émile Fecteau, Jean-François Morin, Cyril Aumaitre
Publikováno v:
ACS Omega
ACS Omega, Vol 4, Iss 12, Pp 14742-14749 (2019)
ACS Omega, Vol 4, Iss 12, Pp 14742-14749 (2019)
Polycyclic aromatic hydrocarbons (PAHs) are interesting building blocks for the preparation of conjugated polymers due to their extended π surface and planar conformation. However, their use as comonomer in conjugated polymers often leads to nonplan
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::21b9e94e1a38279fa66d433cd2b72b29
https://pubmed.ncbi.nlm.nih.gov/31552312
https://pubmed.ncbi.nlm.nih.gov/31552312