Structure and reactivity
The influence of structure on reactivity in alkene metathesis
... Substrate Structure on Reactivity As alkene metathesis has become a staple technique in organic synthesis, it has occurred within a very large number of reaction systems bearing a diverse range of ...
101
A Computational Approach to Structure and Reactivity of Boron Containing Reactive Intermediates
... The presented thesis provides information on the barrier heights, exothermicities and mechanisms of borylene reactions that could not be obtained from earlier experimental investigations. Details on the influence of ...
282
Chemical structure and reactivity by means of quantum chemical topology analysis
... connection between the mathematical formalism of a theory and its interpretation is always subtle. To guide us towards an understanding of many scientific phenomena, simple concepts are necessary, even they are ...
44
Preparation, structure and reactivity of some new types of stabilised phosphorus ylides
... D Oxalvl Bis Phosphorus Ylides The range of p-oxo ylides prepared was extended to include bis-ylides, for structure/reactivity studies in relation to pyrolysis and oxidation. Early ylide chemistry describes ...
298
Computational studies of structure-reactivity relationships in the reaction of hydroxyl radical with arenes
... radical reactivity and selectivity with important classes of compounds, such as ...arenes. Structure-reactivity relationships and reactivity-selectivity relationships allow us to predict the ...
162
THE STRUCTURE AND REACTIVITY OF SOME METALLURGICAL CARBONS. Kenneth Edwin Adams, BA (Hons).
... While it is true that coke reactivity can be related to coal blend rank, coke structure and ash chemistry, in practice little is known about the nature of the[r] ...
339
Cognitive reactivity: Structure and validity of the LEIDS-R
... cognitive reactivity using the LEIDS-R as a psychological vulnerability marker of depression, which also correlates with known biological ...six-factor structure of the LEIDS-R developed and revised by Van ...
36
Ageing on commercial automotive catalysts, a structure reactivity study
... a structure reactivity study Resumo Regulamentações cada vez mais rígidas para as emissões de motores a diesel tem um impacto significativo na eficiência exigida ao ...
70
Effect of heat treatment on structure and gasification reactivity of petroleum coke
... Abstract Petroleum coke was thermally treated on a fixed bed reactor in a temperature range of 1173–1673 K. The changes of the elemental composition and crystalline structure of petroleum coke, with heat ...
9
Role of the chemical structure of ionic liquids in their ecotoxicity and reactivity towards Fenton oxidation
... Role of the chemical structure of ionic liquids in their ecotoxicity and reactivity towards Fenton oxidation Macarena Munoz* a , Carmen M. Domínguez a , Zahara M. de Pedro a , Asunción Quintanilla a , Jose ...
18
Study of molecular structure, chemical reactivity and H-bonding interactions in the cocrystal of nitrofurantoin with urea
... crystallographic structure of cocrystal, which is used here is prepared by β- polymorphic form of NF with urea and this β-form of NF is commercially available in the market and used as a drug ...optimized ...
30
Quantum chemical study of the structure, spectroscopy and reactivity of NO+ (H2O)n=1 5 clusters
... the structure, energetics and IR spectroscopy of the low energy isomers and that the nature of the exchange-correlation functional used in DFT calculations can have a significant effect on the nature of the ...the ...
21
Spontaneous grafting of nitrophenyl groups on amorphous carbon thin films: A structure reactivity investigation
... bulk structure is heterogeneous, typically described as a mixture of sp 2 clusters embedded in an sp 3 matrix, with electronic properties ranging from semimetallic to ...in reactivity towards aryldiazonium ...
33
Structure-Reactivity Correlation in the Oxidation of Ortho-Substituted Benzaldehydes by Tetrakis (Pyridine) Silver Dichromate
... Only a few reports on the oxidation aspects of TPSD are available in the literature 3-6 . We have been interested in the kinetic and mechanistic aspects of the oxidations by complex salts of Cr (VI) and have already ...
12
Oxidative addition of aryl electrophiles to a prototypical nickel(0) complex : mechanism and structure/reactivity relationships
... of structure on the reactivity of these types of complex is important because these serve as intermediates, not only in nickel-catalyzed cross-coupling but also in the reductive cross- coupling of aryl and ...
11
Structure, Coordination Environment, and Reactivity of Biogenic Iron (Oxyhydr)oxides in Suboxic Circumneutral pH Environments.
... spectroscopic techniques, studies on BIOS have increased recently. A more rigorous discussion of BIOS formation, structure and mineralogy, and reactivity follows below. 1.2 Aqueous Chemistry and FeOB, and ...
223
Synthesis, structure and unusual reactivity of a stable 3 (oxazolidin 2 ylidene)thiophen 2 one
... of reactivity resulting in Michael addition via C-5 was proposed to account for the unexpected dimerization of ...The structure and stereochemistry of 14 was only revealed by X- ray diffraction of a crystal ...
17
Structure and reactivity in the pyridine series
... To this end, the thermodynamic acid dissociation constants of pyridinimn ions together with the rate constants for the reaction of substituted pyridines with ethyl[r] ...
169
The structure and reactivity of graphene oxide
... 3.1 The Two Component Structure of Graphene Oxide 59 The layer spacing in ordered graphite is 3.35 Å 13 and the length of a C-O bond is less than 0.15 nm, 14 thus the layer spacing expansion to >1 nm seen for ...
230
Structure and reactivity relationships in organic molecules
... substituent effects are essentially inductive, as for all substituents, sigma values seem to be true constants leading to good linear correlations :for many differ[r] ...
184