Publications

Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

ADVERTISEMENT RETURN TO ISSUEArticleNEXTAb Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force FieldsP. J. Stephens, F. J....

THE ADSORPTION OF GASES ON PLANE SURFACES OF GLASS, MICA AND PLATINUM.

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTTHE ADSORPTION OF GASES ON PLANE SURFACES OF GLASS, MICA AND PLATINUM.Irving LangmuirCite this: J. Am. Chem. Soc. 1918, 40, 9, 1361–1...

Full-length transcriptome assembly from RNA-Seq data without a reference genome

<i>Ab initio</i>molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium

We present ab initio quantum-mechanical molecular-dynamics simulations of the liquid-metal--amorphous-semiconductor transition in Ge. Our simulations are based on (a) finite-tem...

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

Generalized gradient approximations (GGA’s) seek to improve upon the accuracy of the local-spin-density (LSD) approximation in electronic-structure calculations. Perdew and Wang...

The value of the world's ecosystem services and natural capital

Reproducible, interactive, scalable and extensible microbiome data science using QIIME 2

BLAST+: architecture and applications

Abstract Background Sequence similarity searching is a very important bioinformatics task. While Basic Local Alignment Search Tool (BLAST) outperforms exact methods through its ...

Clinical Characteristics of 138 Hospitalized Patients With 2019 Novel Coronavirus–Infected Pneumonia in Wuhan, China

In this single-center case series of 138 hospitalized patients with confirmed NCIP in Wuhan, China, presumed hospital-related transmission of 2019-nCoV was suspected in 41% of p...

Radiotherapy plus Concomitant and Adjuvant Temozolomide for Glioblastoma

The addition of temozolomide to radiotherapy for newly diagnosed glioblastoma resulted in a clinically meaningful and statistically significant survival benefit with minimal add...

Crop evapotranspiration : guidelines for computing crop water requirements

(First edition: 1998, this reprint: 2004). This publication presents an updated procedure for calculating reference and crop evapotranspiration from meteorological data and crop...

Self-interaction correction to density-functional approximations for many-electron systems

The exact density functional for the ground-state energy is strictly self-interaction-free (i.e., orbitals demonstrably do not self-interact), but many approximations to it, inc...