Gaussian Job Archive for C60H92Si3
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
Materials Literature
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按标题、摘要、年份、主题和来源检索公开元数据。结果保留作者、摘要、分类与原始来源链接。
nTOF3ID
Neutrons at the CUP-TOF with 3cm collimator diameter. ID (150million protons)
MalassisDelCulCollins
Raw data required for publication of Malassis, Del Cul & Collins (2015) PLoS One
Gaussian Job Archive for C13H24AlLiO3
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
Hornung_etal_ornithopod_track_morphometry_supplementary raw data
Supplementary data (PAST-output) to Hornung et al.: Diversity, ontogeny, or both? A morphometric approach to iguanodontian ornithopod (Dinosauria: Ornithischia) track assemblages from the Berriasian (Lower Cretaceous) of northwestern Germany - 2D Semi-landmarks dataset - Previous dataset with procrustes fitting
Gaussian Job Archive for C13H16BN3O3
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
Great Salt Lake Fortran Model
This data set includes the the input files to run the USGS Great Salt Lake (GSL) fortran model. Also included is the model itself, which has been updated since its last iteration by Loving et al. (2000). The input files are designed to run from 1966-2012, and initial conditions begin in 1966. Model parameters can be e…
Additional file 8: Table S7. of Transcriptomic analyses of regenerating adult feathers in chicken
cEF vs. cMF differentially expressed gene set (shown in FPKM and fold change). (XLSX 86Â kb)
Gaussian Job Archive for C5H8Cl2O2
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
Intratracheally instilled titanium dioxide nanoparticles translocate to heart and liver and activate complement cascade in the heart of C57BL/6 mice
An estimated 1% or less of nanoparticles (NPs) deposited in the lungs translocate to systemic circulation and enter other organs; however, this estimation may not be accurate given the low sensitivity of existing in vivo NP detection methods. Moreover, the biological effects of such low levels of translocation are unc…
continuous_relative_phase_data
The dataset contains clinical information from a diabetic patients database from the Laboratory of Biomechanics of Human motion and posture from the School of Medicine of the University of Sao Paulo. The biomechanical data as: GCO: control group GDI: diabetes group GDN mild: mild diabetes neuropaty group GDN severe: s…
Influence of CdSe quantum dot on molecular/ionic relaxation phenomenon and change in physical parameters of ferroelectric liquid crystal
Spherical cadmium selenide (CdSe) quantum dots (QDs), capped with octadecylamine, dispersed in ferroelectric liquid crystal (FLC), can remarkably alter the electro-optical (E-O) parameters (material parameters) of the host compound. Here we present an E-O, dielectric, surface anchoring and fluorescence study demonstra…
MOESM2 of High-quality and universal empirical atomic charges for chemoinformatics applications
Additional file 2: EEM parameters. Values of EEM parameter sets for these six charge calculation approaches (i.e. B3LYP/6-311G/MPA,B3LYP/6-311G/NPA, B3LYP/6-311G/AIM, HF/6-311G/MPA, HF/6-311G/NPA, and HF/6-311G/AIM). These EEM parameter sets are in a format which can be used as an input file for EEM SOLVER.
Supporting info for DOI:10.1002/ejoc.201300337 (DFT-D3 dispersion corrections)
Inputs and outputs for the computation of dispersion effects on the intermediates involved in BBr3-catalyzed ether cleavage
PLoS ALM with DOI
This dataset joins the Public Library of Science (PLoS) Article-Level Metrics dataset from January-September 2014 with Digital Object Identifiers (DOIs) from the CrossRef API.
Fig. 4.2 Comparativo puntajes totales
Comparativo de los puntajes obtenidos por los participantes del estudio.
The investigation of systolic and diastolic leaflet kinematics of bioprostheses with a new in-vitro test method
Objectives: We aimed to investigate leaflet kinematics of bioprostheses with a novel high-speed imaging method. Material and methods: High-speed-imaging (1000Hz) was used to evaluate leaflet kinematics of the Carpentier-Edwards Perimount Magna (PM) and Magna Ease (PME) aortic bioprostheses. Both prostheses (diameter 2…
Structures and electron affinity of XO30,−, XOF40,− and XO2F20,− (X = P, As, Sb, Bi): a theoretical study of novel superhalogen formulae and exceptions of super
Most superhalogen species are in the form of oxides or halides. To enrich the family of superhalogen species, herein, we investigated the structures and electron affinity (EA) values of higher group 15 elements (X = P, As, Sb, Bi) oxyfluoride species XO30,−, XOF40,− and XO2F20,−, at the CCSD(T)/aug-cc-pVTZ-pp & aug-cc…
Gaussian Job Archive for C40H42N6O6Zn2 10000562
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
Tracing engineered nanomaterials in biological tissues using coherent anti-Stokes Raman scattering (CARS) microscopy – A critical review
Nanomaterials (NMs) are used in an extremely diverse range of products and are increasingly entering the environment, driving a need to better understand their potential health effects in both humans and wildlife. A major challenge in nanoparticle (eco)toxicology is the ability to localise NMs post exposure, to enable…