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Gaussian Job Archive for C42H46N6O6

Henry S. Rzepa2015-01-01Figshare

Archive of work produced using the resources of the Imperial College High Performance Computing Service.

bioluminescence and chemiluminescence researchPhotochromic and Fluorescence Chemistry

Influence of Activated Carbon Porosity and Surface Oxygen Functionalities Presence on Adsorption of Acetonitrile as Simple Polar Volatile Organic Compound

Sylwester Furmaniak2015-01-01Figshare

Basing on series of porous carbon models, systematic Monte Carlo studies on the adsorption of acetonitrile (as a simple representative of polar volatile organic compounds) were performed. An influence of porosity and chemical composition of carbon surface on CH3CN adsorption was studied and it was shown that both the…

Conducting polymers and applicationsChemical Synthesis and ReactionsInorganic and Organometallic Chemistry

Chapter 3-Figure S1

Manjula Algama2015-01-01Figshare

Positions of segments for the 15-class model of D. melanogaster versus D. simulans alignment.

Educational Robotics and EngineeringEngineering and Material Science Research

Figure 9

Kirstine Calloe2015-01-01Figshare

Molecular cloning and functional expression of the equine K+ channel KV11.1 (ether à go-go-related/KCNH2 gene) and the regulatory subunit KCNE2 from equine myocardium

Engineering and Material Science Research

Gaussian Job Archive for C5H8Cl2O2

Henry S. Rzepa2015-01-01Figshare

Archive of work produced using the resources of the Imperial College High Performance Computing Service.

Molecular Spectroscopy and StructureSolid-state spectroscopy and crystallographyMolecular spectroscopy and chirality

Gaussian Job Archive for C40H42N6O6Zn2 10000561

Charles Romain2015-01-01Figshare

Archive of work produced using the resources of the Imperial College High Performance Computing Service.

Advanced NMR Techniques and ApplicationsAdvanced MRI Techniques and ApplicationsMagnetism in coordination complexes

Supplementary Table 3.7.xlsx

Pallab Bhowmick2015-01-01Figshare

These are supporting information related to PhD thesis. All rights reserved © 2015 Pallab Bhowmick Apart from any fair dealing for the purposes of research, private study, criticism or review, this publication may not be reproduced, stored in a retrieval system, or transmitted in any form or by any means (electronic,…

Electron and X-Ray Spectroscopy TechniquesMuon and positron interactions and applicationsRare-earth and actinide compounds

NanoPUZZLES ISA-TAB-Nano dataset: Cytotoxicity and some physicochemical data reported by Wang et al. 2014 (DOI:10.3109/17435390.2013.796534)

Richard Marchese Robinson2015-01-01Figshare

This file is a ZIP archive which contains three different copies of an ISA-TAB-Nano dataset developed within the NanoPUZZLES EU project [http://www.nanopuzzles.eu]. The (meta)data in this dataset were primarily extracted from the following reference, with additional references consulted as indicated in the Investigati…

Advanced Nanomaterials in Catalysis

Gaussian Job Archive for C6H20O8

Henry S. Rzepa2015-01-01Figshare

Archive of work produced using the resources of the Imperial College High Performance Computing Service.

Solid-state spectroscopy and crystallographyNuclear Physics and ApplicationsAdvanced NMR Techniques and Applications

Assessment of the convergence of partially self-consistent BSE/GW calculations

Denis Jacquemin、Ivan Duchemin、Xavier Blase2015-01-01Figshare

The most applied ab initio method to determine the transition energies to electronically excited states, namely time-dependent density functional theory (TD-DFT), is now well mastered, but alternative approaches can be necessary to circumvent some of the specific limitations of TD-DFT. In that framework, the Bethe–Sal…

Ultrasonics and Acoustic Wave PropagationMagnetic Properties and ApplicationsHigh voltage insulation and dielectric phenomena

Gaussian Job Archive for ClH9O4

Henry S. Rzepa2015-01-01Figshare

Archive of work produced using the resources of the Imperial College High Performance Computing Service.

Atomic and Subatomic Physics ResearchSolid-state spectroscopy and crystallographyQuantum, superfluid, helium dynamics

Project Plan DRAFT 1 - after sandpit1

Simone Ivan Conte、Shyam Reyal2015-01-01Figshare

Project Plan DRAFT 1 - after sandpit1

Engineering and Material Science ResearchConstruction Project Management and PerformanceMathematics Education and Programs

Gaussian Job Archive for C13H24AlLiO3

Henry S. Rzepa2015-01-01Figshare

Archive of work produced using the resources of the Imperial College High Performance Computing Service.

Machine Learning in Materials ScienceCatalysis and Oxidation ReactionsInorganic and Organometallic Chemistry

Mesophase behaviour of laterally di-fluoro-substituted four-ring compounds

Hoda A. Ahmed、Gamal R. Saad2015-01-01Figshare

Four new groups of the di-fluoro-substituted 4-(2′-(or 3′)-fluoro phenylazo)-2-(or 3-) fluoro phenyl-4″-alkoxyphenylazo benzoates (In–IVn) were prepared and investigated for their mesophase behaviour. An alkoxy group of variable chain length (n = 6, 10 and 14 carbons) is attached to the terminal phenylazo benzoate moi…

Fluorine in Organic ChemistrySynthesis and properties of polymersLiquid Crystal Research Advancements

12q H4K20me1 #1

Carolyn J. Brown2015-01-01Figshare

Green is RNA FISH using a probe against XIST RNA. Red is an anti-H4K20me1 antibody. Blue is DAPI. These images were used to calculate data shown in Table 2.

Crystal structures of chemical compoundsMagnetism in coordination complexesMetal complexes synthesis and properties