Natural bond orbital analysis of near-Hartree–Fock water dimer
We have carried out a natural bond orbital analysis of hydrogen bonding in the water dimer for the near-Hartree–Fock wave function of Popkie, Kistenmacher, and Clementi, extendi...
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Contact Electron-Spin Coupling of Nuclear Magnetic Moments
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...
The Sloan Digital Sky Survey Photometric System
This paper describes the Sloan Digital Sky Survey photometric system, a new five-color (u‧ g‧ r‧ i‧ z‧) wide-band CCD system with wavelength coverage from 3000 to 11 000 Å. The ...
Estimating Time Varying Risk Premia in the Term Structure: The Arch-M Model
The expectati on of the excess holding yield on a long bond is postulated to depend upon its conditional variance. Engle's ARCH model is extended to allow the conditional varian...
Intraepithelial CD8<sup>+</sup>tumor-infiltrating lymphocytes and a high CD8<sup>+</sup>/regulatory T cell ratio are associated with favorable prognosis in ovarian cancer
In a recent report, [Zhang et al. (2003) N. Engl. J. Med. 348, 203–213], the presence of CD3 + tumor-infiltrating lymphocytes (TILs) was found to correlate with improved surviva...
GLYCAM06: A generalizable biomolecular force field. Carbohydrates
Abstract A new derivation of the GLYCAM06 force field, which removes its previous specificity for carbohydrates, and its dependency on the AMBER force field and parameters, is p...
Uncertainty principles and ideal atomic decomposition
Suppose a discrete-time signal S(t), 0/spl les/t<N, is a superposition of atoms taken from a combined time-frequency dictionary made of spike sequences 1/sub {t=/spl tau/}/ and ...
Refining the Global Spatial Limits of Dengue Virus Transmission by Evidence-Based Consensus
The map produced here provides a list of 128 countries for which there is good evidence of dengue occurrence, including 36 countries that have previously been classified as deng...
Proton Transfer, Acid‐Base Catalysis, and Enzymatic Hydrolysis. Part I: ELEMENTARY PROCESSES
Abstract The proton occupies a special position as a promoter and mediator in chemical reactions occurring in solution. Many reactions in organic chemistry are catalysed by acid...