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...
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843 publications
Mathematical model for studying genetic variation in terms of restriction endonucleases.
A mathematical model for the evolutionary change of restriction sites in mitochondrial DNA is developed. Formulas based on this model are presented for estimating the number of ...
Singular Integrals and Differentiability Properties of Functions.
Singular integrals are among the most interesting and important objects of study in analysis, one of the three main branches of mathematics. They deal with real and complex numb...
IOP Conference Series: Materials Science and Engineering
International Nuclear Science, Technology and Engineering Conference 2021 (iNuSTEC2021) “Nuclear Science and Technology for Socio-economic Development” Universiti Teknologi Mala...
Posttraumatic Stress Disorder in the National Comorbidity Survey
Posttraumatic stress disorder is more prevalent than previously believed, and is often persistent. Progress in estimating age-at-onset distributions, cohort effects, and the con...
Learning Deep Features for Discriminative Localization
In this work, we revisit the global average pooling layer proposed in [13], and shed light on how it explicitly enables the convolutional neural network (CNN) to have remarkable...
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...
Titanium Dioxide Nanomaterials: Synthesis, Properties, Modifications, and Applications
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTTitanium Dioxide Nanomaterials: Synthesis, Properties, Modifications, and ApplicationsXiaobo Chen and Samuel S. MaoView Author Inform...
The Cambridge Structural Database: a quarter of a million crystal structures and rising
The Cambridge Structural Database (CSD) now contains data for more than a quarter of a million small-molecule crystal structures. The information content of the CSD, together wi...
Efficacy and Safety of the mRNA-1273 SARS-CoV-2 Vaccine
The mRNA-1273 vaccine showed 94.1% efficacy at preventing Covid-19 illness, including severe disease. Aside from transient local and systemic reactions, no safety concerns were ...