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1993 International Journal of Foundations of Computer Science  
The stepwise substitution is embedded in the calculus, thus giving rise to what is nowadays called explicit substitution.  ...  We discuss several versions of stepwise substitution and the corresponding reductions.  ...  A logic for one-pass, one-attributed grammars, p. 14. Receptive Process Theory, p. 16. Combining the functional and the relational model, p. 15.  ... 
doi:10.1142/s0129054193000146 fatcat:ei44xlsf6za4xjyw67lrij2fti

Concerted nucleophilic aromatic substitutions

Eugene E. Kwan, Yuwen Zeng, Harrison A. Besser, Eric N. Jacobsen
2018 Nature Chemistry  
Nucleophilic aromatic substitution (S N Ar) is one of the most widely applied reaction classes in pharmaceutical and chemical research, providing a broadly useful platform for the modification of aromatic  ...  This sensitive technique permits the measurement of KIEs on 10 mg of natural abundance material in one overnight acquisition.  ...  For substitutions on pyridine, pyrazine, and pyrimidine, no stepwise mechanisms are predicted.  ... 
doi:10.1038/s41557-018-0079-7 pmid:30013193 fatcat:w2ykaaitkje63f5ln2nzekp43q

Page 877 of American Society of Civil Engineers. Collected Journals Vol. 109, Issue 3 [page]

1983 American Society of Civil Engineers. Collected Journals  
Alternatively, at the cost of a lower order of the error, one can substitute Ax;_; for Ax; in Eq. 29.  ...  —Fit of Mullick’s Creep Test Data: (a) Creep Recovery; (b) Stepwise Load- ing; (c) Cyclic Loading with Different interval Durations 877  ... 

Explicit versus implicit representations of subsets of the Herbrand universe

Reinhard Pichler
2003 Theoretical Computer Science  
An explicit generalization E = r1 ∨ · · · ∨ r l represents all ground terms that are instances of at least one of the terms ti, whereas an implicit generalization I = t=t1 ∨ · · · ∨ tm represents all H  ...  More generally, a disjunction I = I1 ∨ · · · ∨ In of implicit generalizations contains all ground terms that are contained in at least one of the implicit generalizations Ij.  ...  But then the procedure STEPWISE REDUCTION halts with failure. Hence, by Theorem 3.12, I has no ÿnite explicit representation.  ... 
doi:10.1016/s0304-3975(02)00583-2 fatcat:bm52d6jdv5ggflnr2oqtwg3vla

Combinatory reduction systems with explicit substitution that preserve strong normalisation [chapter]

Roel Bloo, Kristoffer H. Rose
1996 Lecture Notes in Computer Science  
For every con uent CRS, R, we construct an explicit substitution variant, Rx, which we prove con uent.  ...  In this paper, we generalise the notion of explicit substitution from the -calculus to higher order rewriting, realised by combinatory reduction systems (CRSs).  ...  Stepwise substitution distribution.  ... 
doi:10.1007/3-540-61464-8_51 fatcat:qgdfp3leazhdbcy26wknxeyceu

Page 7408 of Mathematical Reviews Vol. , Issue 94m [page]

1994 Mathematical Reviews  
An existence theorem for D-optimal designs and an explicit formula for finding D-optimal designs are given on a sphere. The computation is simple and efficient.  ...  Because empirical distribution functions are used in place of needed distributions in the pseudolikelihoods, the required asymptotic theory is more elaborate than for pseudo- likelihoods based on substitution  ... 

Page 1609 of Genetics Vol. 172, Issue 3 [page]

2006 Genetics  
First, we used rejection sampling based on summary statistics in place of explicit estimation of likelihoods.  ...  Inference of bottleneck parameters: We implemented an approximate Bayesian method, based on summary statistics of the data, to make inferences under the simple stepwise bottleneck model (Figure 1).  ... 

Concerted or Stepwise: How Much Do Free-Energy Landscapes Tell Us about the Mechanisms of Elimination Reactions?

Fernanda Duarte, Scott Gronert, Shina Caroline Lynn Kamerlin
2014 Journal of Organic Chemistry  
Experiments exhibit surprising shifts in isotope effects, indicating an unusual mechanistic balance on the E2-E1cB continuum.  ...  In this study, both 1and 2-dimensional free energy surfaces are generated for these compounds with various substituents, using density functional theory and a mixed implicit/explicit solvation model.  ...  the Triolith Cluster at the National Supercomputing Center in Linkoping and on the Abisko cluster at the High Performance Computing Center North.  ... 
doi:10.1021/jo402702m pmid:24404911 pmcid:PMC3966530 fatcat:unsl3vrixnh6hfkd6ptih3astq

Kinetic Study on Aminolysis of 4-Chloro-2-Nitrophenyl X-Substituted-Benzoates in Acetonitrile and in 80 mol % H2O/20 mol % DMSO: Effect of Medium on Reactivity and Reaction Mechanism

Ha-Ram Kim, Tae-Il Um, Min-Young Kim, Ik-Hwan Um
2014 Bulletin of the Korean Chemical Society (Print)  
A kinetic study on aminolysis of 4-chloro-2-nitrophenyl X-substituted-benzoates (6a-i) in MeCN is reported.  ...  The aminolysis of 6e in aqueous medium has previously been reported to proceed through a stepwise mechanism with a change in RDS on the basis of a curved Brønsted-type plot.  ...  Thus, one might suggest that the piperidinolysis of 6a-i proceeds through a stepwise mechanism with a change in RDS on changing the electronic nature of the substituent X on the basis of the nonlinear  ... 
doi:10.5012/bkcs.2014.35.4.1128 fatcat:f4qak7zpcralneypx45apceyn4

Design of stepwise foam claddings subjected to air-blast based on Voronoi model

Minzu Liang, Fangyun Lu, Guodong Zhang, Xiangyu Li
2017 Steel and composite structures  
Design of stepwise foam claddings subjected to air-blast is performed based on random Voronoialgorithm.  ...  The deformation patterns are presented to give an insight into the influences of distribution on deformation mechanisms.  ...  Then, the deformation mode and energy absorption of the stepwise foam cladding under airblast are studied using ABAQUS/Explicit software.  ... 
doi:10.12989/scs.2017.23.1.107 fatcat:bzolknniq5btnlg3v5vpu7rfau

Nucleophilic Substitution at Heteroatoms—Identity Substitution Reactions at Phosphorus and Sulfur Centers: Do They Proceed in a Concerted (SN2) or Stepwise (A–E) Way?

Marian Mikołajczyk, Marek Cypryk, Bartłomiej Gostyński, Jakub Kowalczewski
2022 Molecules  
The mechanisms of three selected identity substitution reactions at phosphorus and sulfur occurring with stereospecific inversion have been investigated using density functional theory (DFT).  ...  The first identity reaction between methoxyl anion and methyl ethylphenylphosphinate 1 reported in 1963 has been shown to proceed in a stepwise fashion according to the addition–elimination (A–E) mechanism  ...  The very early investigations on the symmetric halogen-halogen exchange reactions have contributed importantly to our present knowledge on the stereochemistry and mechanism of nucleophilic substitution  ... 
doi:10.3390/molecules27030599 pmid:35163860 pmcid:PMC8839028 fatcat:khjo6f3g4bhxdgehod6oauwaf4

Variable selection: current practice in epidemiological studies

Stefan Walter, Henning Tiemeier
2009 European Journal of Epidemiology  
Stepwise selection methods remained the predominant method for variable selection in publications in epidemiological journals in 2008. Shrinkage methods were not used in any of the reviewed articles.  ...  This was only the case for 41 of the 83 publications that relied on this method. The remaining 42 studies described the rational for including the covariates without explicit references.  ...  When the selection of variables is based on prior knowledge, this knowledge needs to be made explicit with references or explanations; otherwise the selection cannot be judged or discussed.  ... 
doi:10.1007/s10654-009-9411-2 pmid:19967429 pmcid:PMC2791468 fatcat:lxqqrary2jgdxo4ci2je4or35a

Page 402 of Problems in General Surgery Vol. 10, Issue 3 [page]

1993 Problems in General Surgery  
Sec- ond, because of perceived difficulties in collecting the number of diagnoses (the Co- morbidity Scale), the investigators substituted the American Society of Anesthesiologists (ASA) Physical Status  ...  *" COMPARISON OF THE MULTIVARIATE RISK INDICES Although no explicit guidelines exist for comparing multivariate risk indices, enough evaluation statistics have been provided in the reports of the various  ... 

A Flexible Framework for Visualisation of Computational Properties of General Explicit Substitutions Calculi

F.L.C. de Moura, A.V. Barbosa, M. Ayala-Rincón, F. Kamareddine
2011 Electronical Notes in Theoretical Computer Science  
) and a specific style of making explicit substitutions in real implementations based on the λ-calculus.  ...  In addition to dealing the λ-calculus and explicit substitutions calculi in de Bruijn notation, now it is possible to work with the λ-calculus and with several calculi of explicit substitutions using also  ...  In other words, the implicit substitution implements the explicit one.  ... 
doi:10.1016/j.entcs.2011.03.004 fatcat:iwspr275tvcc7c5bwuyihz5mva

Page 915 of Journal of Applied Physics Vol. 27, Issue 8 [page]

1956 Journal of Applied Physics  
Solving Eq. (5) for 0n/dz and differentiating with respect to z, an expres- sion for 02n/dz* is obtained which, substituted in Eq. (4) gives On 2.4\?  ...  , that on DO On On ~———(r)-D—=1 (2) ot or OrX\ Or 02?  ... 
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