Publications
Explore 55 academic publications
<i>Ab initio</i> Force Constant Approach to Phonon Dispersion Relations of Diamond and Graphite
The phonon dispersion relations of diamond and graphite are calculated using an ab initio force constant method. The force constants are calculated via a self-consistent superce...
Tables of molecular vibrational frequencies
Fundamental vibrational frequencies of 109 molecular forms of 38 polyatomic chain molecules consisting of the CH3, CD3, CH2 CD2, CHD, O, and S groups are given as an extension o...
Cosmological implications of baryon acoustic oscillation measurements
Here, we derive constraints on cosmological parameters and tests of dark energy models from the combination of baryon acoustic oscillation (BAO) measurements with cosmic microwa...
Metabolic fingerprinting in disease diagnosis: biomedical applications of infrared and Raman spectroscopy
The ability to diagnose the early onset of disease, rapidly, non-invasively and unequivocally has multiple benefits. These include the early intervention of therapeutic strategi...
Structure prediction for CASP8 with all‐atom refinement using Rosetta
Abstract We describe predictions made using the Rosetta structure prediction methodology for the Eighth Critical Assessment of Techniques for Protein Structure Prediction. Aggre...
Phonon-phonon interactions in transition metals
In this paper the phonon self energy produced by anharmonicity is calculated\nusing second order many body perturbation theory for all bcc, fcc and hcp\ntransition metals. The s...
UNUSUAL PROPERTIES AND STRUCTURE OF CARBON NANOTUBES
▪ Abstract The unusual structure and properties of carbon nanotubes are presented, with particular reference to single-wall nanotubes (SWNTs) and nanotube properties that differ...
Theoretical studies of surface enhanced Raman scattering
ADVERTISEMENT RETURN TO ISSUEPREVArticleTheoretical studies of surface enhanced Raman scatteringGeorge C. SchatzCite this: Acc. Chem. Res. 1984, 17, 10, 370–376Publication Date ...