Results 11 to 20 of about 2,687 (148)
Recent Advances in Mediator and Proton Relay Usage in Molecular Catalysis. [PDF]
Adv Sci (Weinh)The use of electron–proton transfer mediators, redox mediators, and proton relays in synergy with molecular catalysts in energy‐related small‐molecule and organic transformations is discussed, with a focus on recent advances. Linear free‐energy relationship and catalytic Tafel plots provide a systematic foundation for benchmarking these catalytic ...
Chi YL, Chuang WS, Lin JK, Wang YH.
europepmc +2 more sources
CHIMIA, 2006 A large number of models is available to predict physicochemical properties directly from the two-dimensional molecular structure. An alternative to conventional fragment methods is given by linear free-energy relationships (LFERs) employing ...
Gerrit Schüürmann +2 more
doaj +1 more source
Energy and land use in the Pamir-Alai Mountains [PDF]
, 2011 In a comparative study of energy resources and energy consumption patterns in the Pamir-Alai Mountains of Kyrgyzstan and Tajikistan, the relations between energy consumption, land use, and livelihoods were investigated.
Förster, Heidi +2 more
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A LFER analysis of the singlet-triplet gap in a series of sixty-six carbenes
Chemical Physics Letters, 2018 Ab initio G4 calculations have been performed to investigate the singlet-triplet gap in a series of 66 simple carbenes. Energies and geometries were analyzed. An additive model has been explored that include four interaction terms. An abnormal behavior of the cyano group has been found.
Alkorta, Ibon, Elguero, José
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A simple method for estimating in vitro air-tissue and in vivo blood-tissue partition coefficients [PDF]
, 2014 YesA simple method is reported for the estimation of in vivo air-tissue partition coefficients of VOCs and of in vitro blood-tissue partition coefficients for volatile organic compounds and other compounds.
Abraham, M.H. +4 more
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Anion–π interactions influence pKa values
Beilstein Journal of Organic Chemistry, 2011 Five 8-(4-R-phenyl)-1-naphthol derivatives were prepared by PdCl2-catalysed electrophilic aromatic substitution. The pKa' values for these 1,8-disubstituted arene naphthols have been measured in acetonitrile/water (R = NO2, 8.42; R = Cl, 8.52; R = H, 8 ...
Christopher J. Cadman, Anna K. Croft
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Kinetic evaluation of the solvolysis of isobutyl chloro- and chlorothioformate esters
Beilstein Journal of Organic Chemistry, 2011 The specific rates of solvolysis of isobutyl chloroformate (1) are reported at 40.0 °C and those for isobutyl chlorothioformate (2) are reported at 25.0 °C, in a variety of pure and binary aqueous organic mixtures with wide ranging nucleophilicity and ...
Malcolm J. D’Souza +4 more
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Linear combination methods for prediction of drug skin permeation [PDF]
, 2014 YesMany in-vitro methods for prediction of skin permeability have been reported in literature. Cerasome electrokinetic chromatography is one of the most sophisticated approaches representing a maximum level of ...
Fahr, A., Liu, Xiangli, Scheler, S.
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Bogomol'nyi Bounds and the Supersymmetric Born-Infeld Theory [PDF]
, 1998 We study N=2 supersymmetric Born-Infeld-Higgs theory in 3 dimensions and derive Bogomol'nyi relations in its bosonic sector. A peculiar coupling between the Higgs and the gauge field (with dynamics determined by the Born-Infeld action) is forced by ...
Aganagic +28 more
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Considerations in Pursuing Reaction Scope Generality
Angewandte Chemie, Volume 137, Issue 41, October 6, 2025.Synthetic methods that are applicable to a broad range of substrates are sought after, owing to their utility in industrial settings. This minireview describes considerations associated with how chemists define and identify general methods, especially with the emergence of modern analytical, high‐throughput, and data science tools in chemistry, and ...
Samson B. Zacate +4 more
wiley +2 more sources