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Le Diable dans la bibliothèque
Dans Thinking with Demons (1997), Stuart Clark a montré que la démonologie, cette composante essentielle de la pensée de la première modernité, n’était pas une affaire de spécialistes: ‘penser avec le diable’ était une activité...
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La Cour Suprême du Royaume-Uni et le Brexit
JS Bell
May 30, 2017
If Her Majesty’s Ministers sign this treaty [to enter the European Economic Communities] and Parliament enacts provisions to implement it, I do not envisage that Parliament would afterwards go back on it and try to withdraw from...
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QM/MM simulations for methyl transfer in solution and catalysed by COMT
Sampling of structures from QM/MM molecular dynamics reveals distinct families of reactant-state conformers and yields kinetic isotope effects for reactions in enzyme active sites and in solution, averaged over thermal...
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QM/MM simulations for methyl transfer in solution and catalysed by COMT
Sampling of structures from QM/MM molecular dynamics reveals distinct families of reactant-state conformers and yields kinetic isotope effects for reactions in enzyme active sites and in solution, averaged over thermal...
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Gabriel(le) et Marcel(le): La Fluidité du Genre dans Gabriel (1839) de George Sand et Madame Adonis (1888) de Rachilde
Elisa Rodriguez
Jan 01, 0001
George Sand and Rachilde, two important French female writers of the 19th c, discuss androgynous characters and borderline homosexual relationships in their works. They are part of a larger literary trend obsessed with liminal...
Published by: Ursinus College
QM/MM kinetic isotope effects for chloromethane hydrolysis in water

Computational simulations for chloromethane hydrolysis have been performed using hybrid quantum-mechanical/molecular-mechanical methods with explicit solvation by large numbers of water molecules. In the first part of the...

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QM/MM kinetic isotope effects for chloromethane hydrolysis in water

Computational simulations for chloromethane hydrolysis have been performed using hybrid quantum-mechanical/molecular-mechanical methods with explicit solvation by large numbers of water molecules. In the first part of the...

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Computational mutagenesis reveals the role of active-site tyrosine in stabilising a boat conformation for the substrate
Molecular dynamics simulations have been performed for non-covalent complexes of phenyl beta-xylobioside with the retaining endo-beta-1,4-xylanase from B. circulans (BCX) and its Tyr69Phe mutant using a hybrid QM/MM methodology....
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Computational mutagenesis reveals the role of active-site tyrosine in stabilising a boat conformation for the substrate
Molecular dynamics simulations have been performed for non-covalent complexes of phenyl beta-xylobioside with the retaining endo-beta-1,4-xylanase from B. circulans (BCX) and its Tyr69Phe mutant using a hybrid QM/MM methodology....
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Echoes of Legend: Magic as the Bridge Between a Pagan Past and a Christian Future in Sir Thomas Malory's Le Morte Darthur
Josh Mangle
Jan 01, 0001
Sir Thomas Malory's Le Morte Darthur is a text that tells the story of King Arthur and his Knights of the Round Table. Malory wrote this tale by synthesizing various Arthurian sources, the most important of which being the...
Published by: Winthrop University
Ensemble-averaged QM/MM kinetic isotope effects for the S<sub>N</sub>2 reaction of cyanide anions with chloroethane in DMSO solution
The existence of solvent fluctuations leads to populations of reactant-state (RS) and transition-state (TS) configurations and implies that property calculations must include appropriate averaging over distributions of values...
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The Adult Sprague-Dawley Sugen-Hypoxia Rat Is Still "the One:" A Model of Group 1 Pulmonary Hypertension
To the editor: Kojonazarov et al. recently reported severe emphysema in the SU5416/Hypoxia (SuHx) rat model of pulmonary hypertension (1). The authors found that adult male Wistar Kyoto (WKY) rats had increased air-to-tissue...
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"Les suites des suites"
E Birch
May 29, 2017
Taking as its subject Alexandre Dumas’s $\textit{Le Comte de Monte-Cristo}$ (1844-46), this article explores what the literary critic Alfred Nettement dubbed the newspaper’s ‘influence contagieuse’ under the July Monarchy, and...
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Ensemble-averaged QM/MM kinetic isotope effects for the S<sub>N</sub>2 reaction of cyanide anions with chloroethane in DMSO solution
The existence of solvent fluctuations leads to populations of reactant-state (RS) and transition-state (TS) configurations and implies that property calculations must include appropriate averaging over distributions of values...
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Quelques designations de l'arum tachete (Arum macula/urn L.) dans les dialectes gallo-romans et daco-roumains
La motivation sémantique, source de la création lexicale, est une réalité qui a été mise en évidence dans de nombreuses études, partant sur le lexique lui-meme (voir l'Atlas Linguarum Europae ALE, l'Atlas Linguistique Roman...
Looking Beyond the Political in Driss Chraïbi's <i> Le Passé simple</i> and Kamel Daoud's <i> Meursault, contre-enquête </i>
Sura Qadiri
Mar 02, 2020
Recent years have seen an aesthetic turn in postcolonial literary studies. There has been a widespread call for a move away from over-emphasis on the political context and content of postcolonial literary texts, because...
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Toward Understanding CB[7]-Based Supramolecular Diels-Alder Catalysis
Cucurbiturils (CBs) are robust and versatile macrocyclic compounds, often used as molecular hosts in complex supramolecular systems. In previous work, remarkable catalytic activity has been observed for asymmetric cycloadditions...
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‘L’enclume toujours chaude’
N White
Mar 14, 2017
Recent research on Émile Zola’s involvement with the French press of the late Second Empire and early Third Republic has clarified the shape of this history of his engagement with journalism, including a supposed absence from...
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Primo Levi e il pensiero magico
RSC Gordon
Jun 29, 2017
La ricerca delle radici, l’antologia dei suoi libri preferiti, scelti e commentati da Primo Levi su commissione einaudiana, continua a essere una fonte di interesse eccezionale per aiutare a sondare il retroterra...
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Toward Understanding CB[7]-Based Supramolecular Diels-Alder Catalysis.
Cucurbiturils (CBs) are robust and versatile macrocyclic compounds, often used as molecular hosts in complex supramolecular systems. In previous work, remarkable catalytic activity has been observed for asymmetric cycloadditions...
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