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The treatment of molecules and crystals by the Heitler-London method or by the collective electron model can be based on the atomic orbitals φμ of the system. These orbitals are...
Highly efficient quantum-dot-sensitized solar cell is fabricated using ca. 2-3 nm sized perovskite (CH(3)NH(3))PbI(3) nanocrystal. Spin-coating of the equimolar mixture of CH(3)...
The valence-bond theory for the contact electron-spin coupling of nuclear magnetic moments is used to calculate the proton-proton, proton-fluorine, and fluorine-fluorine couplin...
17,187 patients entering 417 hospitals up to 24 hours (median 5 hours) after the onset of suspected acute myocardial infarction were randomised, with placebo control, between: (...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTVicinal Proton Coupling in Nuclear Magnetic ResonanceMartin. KarplusCite this: J. Am. Chem. Soc. 1963, 85, 18, 2870–2871Publication D...
Canadian Institutes of Health Research, Heart and Stroke Foundation of Canada, Canadian Stroke Network, Health Research Board Ireland, Swedish Research Council, Swedish Heart an...
Organic-inorganic hybrid materials promise both the superior carrier mobility of inorganic semiconductors and the processability of organic materials. A thin-film field-effect t...
OceanStore is a utility infrastructure designed to span the globe and provide continuous access to persistent information. Since this infrastructure is comprised of untrusted se...
For the 2 decades prior to 1960, published research in social psychology was based on a wide variety of subjects and research sites. Content analyses show that since then such r...
Universal variational functionals of densities, first-order density matrices, and natural spin-orbitals are explicitly displayed for variational calculations of ground states of...
In an earlier paper [A. D. Becke, J. Chem. Phys. 96, 2155 (1992)], Kohn–Sham density-functional calculations of the total atomization energies of the 55 molecules of the Gaussia...
In the setting of a healthful diet, partial substitution of carbohydrate with either protein or monounsaturated fat can further lower blood pressure, improve lipid levels, and r...