From molecules to solids with the DMol3 approach
Recent extensions of the DMol3 local orbital density functional method for band structure calculations of insulating and metallic solids are described. Furthermore the method fo...
Publications
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630 publications
Amyloid Oligomers Exacerbate Tau Pathology in a Mouse Model of Tauopathy
<b><i>Background:</i></b> We aimed to investigate the influence of oligomeric forms of β-amyloid (Aβ) and the influence of the duration of exposure on th...
Raman Spectrum of Graphite
Raman spectra are reported from single crystals of graphite and other graphite materials. Single crystals of graphite show one single line at 1575 cm−1. For the other materials ...
Ad-hoc on-demand distance vector routing
An ad-hoc network is the cooperative engagement of acollection of mobile nodes without the required intervention of any centralizedaccess point or existing infrastructure. In th...
Prospective identification of tumorigenic breast cancer cells
Breast cancer is the most common malignancy in United States women, accounting for >40,000 deaths each year. These breast tumors are comprised of phenotypically diverse popul...
Accuracy of clinical diagnosis of idiopathic Parkinson's disease: a clinico-pathological study of 100 cases.
Few detailed clinico-pathological correlations of Parkinson's disease have been published. The pathological findings in 100 patients diagnosed prospectively by a group of consul...
Optical Properties and Electronic Structure of Amorphous Germanium
Abstract The optical constants of amorphous Ge are determined for the photon energies from 0.08 to 1.6 eV. From 0.08 to 0.5 eV, the absorption is due to k ‐conserving transition...
ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB
Molecular mechanics is powerful for its speed in atomistic simulations, but an accurate force field is required. The Amber ff99SB force field improved protein secondary structur...
Inferring tumour purity and stromal and immune cell admixture from expression data
Infiltrating stromal and immune cells form the major fraction of normal cells in tumour tissue and not only perturb the tumour signal in molecular studies but also have an impor...
Introduction to Fourier optics
The fourth edition of this respected text considerably expands the original and reflects the tremendous advances made in the discipline since 1968. All material has been thoroug...
The Occurrence of Sleep-Disordered Breathing among Middle-Aged Adults
The prevalence of undiagnosed sleep-disordered breathing is high among men and is much higher than previously suspected among women. Undiagnosed sleep-disordered breathing is as...