Zobrazeno 1 - 10
of 113
pro vyhledávání: '"Pierre-Nicholas Roy"'
Publikováno v:
Physical Chemistry Chemical Physics. 24:19432-19442
In contrast to activity and selectivity, the stability trends in heterogeneous metal electrocatalysts used for CO2 electroreduction remain less understood; here, we systematically study the effect of reaction intermediates on the catalyst stability.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7e3c8058d50ed15ec54f95cb8a4c76af
https://doi.org/10.1039/d2cp02075k
https://doi.org/10.1039/d2cp02075k
Autor:
Jeffrey Davidson, Charles Gauthier-Signore, Kevin P. Bishop, Christopher Wicks, Mario A. Monteiro, Pierre-Nicholas Roy, France-Isabelle Auzanneau
Publikováno v:
Organic & Biomolecular Chemistry. 20:2964-2980
CH3-6 of l-Rha and H-2 of d-Man give ROE correlation in the α-d-Manp-(1 → 4)-l-Rhap motif. C-2 in d-Man is shifted upfield in the 13C NMR spectrum of the β-d-Rhap-(1 → 3)-d-Manp motif.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c45ceb12af4acb301fc33fad3a69b26c
https://doi.org/10.1039/d2ob00131d
https://doi.org/10.1039/d2ob00131d
Akademický článek
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Autor:
Tobias Serwatka, Pierre-Nicholas Roy
Publikováno v:
The Journal of chemical physics. 157(23)
Systems composed of molecular rotors are promising candidates as quantum devices. In this work, we employ our recently developed density matrix renormalization group approach to study such a rotor system, namely, linear chains of rotating para-water
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4ab5cc0c4204953fbc5d616b59138425
https://pubmed.ncbi.nlm.nih.gov/36550052
https://pubmed.ncbi.nlm.nih.gov/36550052
Autor:
Alexander Ibrahim, Pierre-Nicholas Roy
Publikováno v:
The Journal of chemical physics. 157(17)
We present the equation of state of solid parahydrogen between 0.024 and 0.1 Å−3 at T = 4.2 K, calculated using path integral Monte Carlo simulations, with ab initio two-body and three-body interaction potentials. We correct for finite size simula
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::614d607b8b4236f991b52a1e3a54071c
https://pubmed.ncbi.nlm.nih.gov/36347667
https://pubmed.ncbi.nlm.nih.gov/36347667
Publikováno v:
The Journal of Chemical Physics. 158:124310
In this work, we study the heat capacity contribution of a rigid water molecule encapsulated in C60 by performing six-dimensional eigenstate calculations with the inclusion of its quantized rotational and translational degrees of freedom. Two confine
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3cea3445837cda97ded00fdaa5bce85d
https://doi.org/10.1063/5.0148882
https://doi.org/10.1063/5.0148882
Autor:
Jeffrey, Davidson, Charles, Gauthier-Signore, Kevin P, Bishop, Christopher, Wicks, Mario A, Monteiro, Pierre-Nicholas, Roy, France-Isabelle, Auzanneau
Publikováno v:
Organicbiomolecular chemistry. 20(14)
Many children suffering from autism spectrum disorder (ASD) experience gastrointestinal (GI) conditions.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::b12c93325db86b4f1585e94532658ea8
https://pubmed.ncbi.nlm.nih.gov/35333269
https://pubmed.ncbi.nlm.nih.gov/35333269
Autor:
Matthew Schmidt, Pierre-Nicholas Roy
Publikováno v:
The Journal of chemical physics. 156(8)
The Raman vibrational frequency shifts of pure parahydrogen and orthodeuterium clusters of sizes N = 4–9 are calculated using the Langevin equation path integral ground state method. The shifts are calculated using three different methods; the resu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::abf7600ce82c986c3d4b690374ed9c1b
https://pubmed.ncbi.nlm.nih.gov/35232213
https://pubmed.ncbi.nlm.nih.gov/35232213
Publikováno v:
Matter. 2:1667-1684
Summary Tremendous interest in solid-state devices has prompted the development of descriptors that can be utilized to develop better materials. Previous work mostly focused on the static structure, while discovery of the interplay between cation mob
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::45a49a6b5828f23022aa997c9b6dd2af
https://doi.org/10.1016/j.matt.2020.04.027
https://doi.org/10.1016/j.matt.2020.04.027
Autor:
Clément Wespiser, Thomas Putaud, Yulia Kalugina, Armand Soldera, Pierre-Nicholas Roy, Xavier Michaut, Patrick Ayotte
Publikováno v:
The Journal of chemical physics. 156(7)
Confinement effects on the ro-translational (RT) dynamics of water, trapped in rare gas matrices or within endofullerenes (i.e., H
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::be143f26ff5a7d005fd06cbdc9c391fd
https://pubmed.ncbi.nlm.nih.gov/35183072
https://pubmed.ncbi.nlm.nih.gov/35183072