Results 71 to 80 of about 36,268 (249)
The reaction of slag in cement: theory and computer modelling [PDF]
, 2006 In this study, theoretical models available for the reaction of both pure slag\ud (alkali-activated) and slag-blended cement are reviewed.
Brouwers, H.J.H., Chen, W.
core +1 more source
Angewandte Chemie International Edition, EarlyView.Endo or Exo? The first quantitative kinetic mapping of the nucleophilic reactivity of endo‐ and exo‐glycal compounds highlighted that endo‐glycals are typically 102 times less reactive than their corresponding parent cyclic enol ethers while exo‐glycals are 103 more nucleophilic. This experimental and computational structure–reactivity study highlights
Sophie Rodrigues +7 more
wiley +1 more source
Hyperconjugative Effect on the Electronic Wavefunctions of Ethanol
, 2008 Hyperconjugation is a basic conception of chemistry. Its straightforward effect is exhibited by the spatial delocalization characteristics of the electron density distributions or wavefunctions.
Chen, Xiangjun +8 more
core +1 more source
Spectroscopic and Computational Studies of Matrix-Isolated iso-CXBr3 (X=F,Cl,Br): Structure, Properties, and Photochemistry of Substituted Iso-Tribromomethanes [PDF]
, 2012 Iso-polyhalomethanes are important reactive intermediates in the condensed and gas-phase chemistry of halomethanes. Building upon our recent study of iso-bromoform, in this work the substituted iso-tribromomethanes (iso-CXBr3; X = F, Cl, Br) were ...
Esselman, Brian J. +4 more
core +2 more sources
Computed Structures, Torsional Scans and NBOs
, 2023 -Transition state and minimized structures-Torsional scan data and raw data tables-Natural bond orbital cube files and formatted Gaussian checkpoint file for NBO ...
openaire +1 more source
The observatory of Niger Basin authority - A tool for trans-boundary integrated water management governance [PDF]
, 2010 Le bassin du fleuve Niger comprend neuf pays qui dépendent de ses ressources pour leurs agricultures, pour leur approvisionnement en énergie et pour les besoins en eau des populations.
Bisson, Patrick +2 more
core
Angewandte Chemie International Edition, EarlyView.Technetium alkyne complexes have eluded isolation for decades with the only indicators for their existence being the isolation of vinylidene carbenes or their follow‐up reaction products despite plentiful of reports for neighboring elements. Stable, crystalline Tc(III) and Tc(V) alkyne complexes (and their Re analogs) have now been prepared and fully ...
Maximilian Roca Jungfer +5 more
wiley +1 more source
Journal of Immunology Research, 2021 Background. Currently, both clavicular bacterial osteomyelitis (BO) and nonbacterial osteitis (NBO) remain not well understood owing to their much lower incidences. This study is aimed at summarizing similarities and differences between clavicular BO and
Nan Jiang +4 more
doaj +1 more source
Theoretical Study of Heteroatom Resonance-Assisted Hydrogen Bond: Effect of Substituent on π-delocalization [PDF]
Iranian Journal of Chemistry & Chemical Engineering, 2010 The concept of Resonance Assisted Hydrogen Bond (RAHB), which usually occurs in b diketons, has a remarkable role in chemistry. These molecules, which contain heteroatom particularly O and N, are species with biological interest in protein folding and ...
Ali Heydar Pakiari, Maryam Farrokhnia
doaj
Relativistic Ab initio Study On PtF and HePtF [PDF]
, 2010 The electronic structures and spectroscopic constants of the first three low-lying electronic states (Omega = 1/2, 3/2, and 5/2) of the linear HePtF complex were investigated by highly accurate relativistic ab initio methods, in which the spin-orbit ...
Boggs, James E. +2 more
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