In March, I posted from the ACS meeting in San Diego on the topic of Research data: Managing spectroscopy-NMR, and noted a talk by MestreLab Research on how a tool called Mpublish in the forthcoming release of their NMR analysis software Mestrenova could help. With that release now out, the opportunity arose to test the system.
Posts Tagged ‘City: San Diego’
Managing (open) NMR data: a working example using Mpublish.
Monday, August 1st, 2016Tags:Acrobat, analysis software, chemical, Chemical IT, Chemistry, City: San Diego, format type chemical/x-mnpub, media type, Mestrenova, non-commercial open software packages, Nuclear magnetic resonance, Nuclear magnetic resonance spectra database, Nuclear magnetic resonance spectroscopy, PDF, public key, Science, Scientific method, spectroscopy, Technology/Internet
Posted in Uncategorised | 3 Comments »
Global initiatives in research data management and discovery: searching metadata.
Monday, March 7th, 2016The upcoming ACS national meeting in San Diego has a CINF (chemical information division) session entitled "Global initiatives in research data management and discovery". I have highlighted here just one slide from my contribution to this session, which addresses the discovery aspect of the session.
Tags:Academic publishing, chemical, chemical information division, Chemical IT, Chemical nomenclature, chemical structures, Chemical substance, chemical/x-wavefunction, Cheminformatics, City: San Diego, content media, data repository search, format type chemical/x-* , Identifiers, Imperial College, Imperial College London, International Chemical Identifier, JSON, media types, multipurpose internet media extensions, ORCiD, PDF, potential such systems, research data management, Search queries, Technical communication, Technology/Internet
Posted in Uncategorised | 2 Comments »
Discovery based research experiences: gauche effects in group 16 elements.
Wednesday, March 2nd, 2016The upcoming ACS national meeting in San Diego has a CHED (chemical education division) session entitled Implementing Discovery-Based Research Experiences in Undergraduate Chemistry Courses. I had previously explored what I called extreme gauche effects in the molecule F-S-S-F. Here I take this a bit further to see what else can be discovered about molecules containing bonds between group 16 elements (QA= O, S, Se, Te).
Tags:City: San Diego, Interesting chemistry, metal, non-metal, Singular spectrum analysis, Time series analysis
Posted in crystal_structure_mining | No Comments »