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NMR Online + NMRD · @nmronline
195 followers · 211 posts · Server mstdn.science
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#alpinemr2023 #biochemistry #bioinformatics #biology #biophysics #chemistry #compchem #metabolomics #NMR #NMRchat #nmronline #physics #structuralbiology

Last updated 1 year ago
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NMR Online + NMRD · @nmronline
195 followers · 211 posts · Server mstdn.science
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24 years ago today, I (Co-founder and Co-ordinator) started my first, full-time job as a Web Designer.

It seems like yesterday, but is actually miles away, in every way, from where I am today.

@bioinformatics @biophysics @chemistry @compchem @nmrchat @physics @strucbio

#biochemistry #bioinformatics #biology #biophysics #chemistry #compchem #metabolomics #NMR #NMRchat #nmronline #physics #softwaredevelopment #softwareengineering #structuralbiology #webdev

Last updated 1 year ago
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NMR Online + NMRD · @nmronline
194 followers · 209 posts · Server mstdn.science
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We're always listening to the community.

You've told us your present experiences, and what you want from software.

– ELECTRO will be fully tested prior to release, and will be intuitive and streamlined, so you can focus on the science!

@bioinformatics @biophysics @chemistry @compchem @nmrchat @physics @strucbio

#NMR #nmronline #biochemistry #bioinformatics #biology #biophysics #chemistry #compchem #metabolomics #physics #softwaredevelopment #softwareengineering #structuralbiology #webdev

Last updated 1 year ago
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NMR Online + NMRD · @nmronline
193 followers · 208 posts · Server mstdn.science
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In addition to our software engineering efforts, we're making connections and building strategic collaborations with fellow academics and businesses, to jointly broaden our skills and boost potential.

@bioinformatics @biophysics @chemistry @compchem @nmrchat @physics @strucbio

#biochemistry #bioinformatics #biology #biophysics #chemistry #compchem #metabolomics #NMR #NMRchat #nmronline #physics #softwaredevelopment #softwareengineering #structuralbiology #webdev

Last updated 1 year ago
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Robert Pollice · @robpollice
144 followers · 87 posts · Server mstdn.science

preprint of the week : Computational workflow for the systematic exploration of the reactivity space of catalyst families. doi.org/10.26434/chemrxiv-2023

#RobSelects #ChemRxiv #compchem

Last updated 1 year ago
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NMR Online + NMRD · @nmronline
193 followers · 208 posts · Server mstdn.science
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After a busy summer presenting – ELECTRO to the community, before adding any new features, we thought it wise to optimise and test our platform completely, to maximise efficiency and guarantee performance.

@bioinformatics @biophysics @chemistry @compchem @nmrchat @physics @strucbio

#nmronline #NMR #biochemistry #bioinformatics #biology #biophysics #chemistry #compchem #metabolomics #NMRchat #physics #softwaredevelopment #softwareengineering #structuralbiology #webdev

Last updated 1 year ago
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Biggin Laboratory, Oxford · @bigginlab
199 followers · 61 posts · Server fediscience.org

RT @DeplazesEvelyne: Hey and tweeps! Join us for the 2023 Molecular Modelling conference, Dec 7-10, in beautiful Wollongong.

t.co/doaHuf4SFh

The organising committee has put together a great line-up of speakers! 👇 t.co/HJW2eBGut3

#ozchem #compchem

Last updated 1 year ago
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NMR Online + NMRD · @nmronline
191 followers · 206 posts · Server mstdn.science

Earlier today, during an with academic community members, we received feedback that suggests our presence (and influence) might be greater than we can see.

If so, we're truly grateful, and this encourages us to keep building for the community.

@bioinformatics @biophysics @chemistry @compchem @nmrchat @physics @strucbio

#NMRchat #nmronline #NMR #biochemistry #bioinformatics #biology #biophysics #chemistry #compchem #metabolomics #physics #structuralbiology

Last updated 1 year ago
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Henrique C. S. Junior · @hcs
110 followers · 310 posts · Server mathstodon.xyz
SpringerLink - Tweaking the conjugation effects on a pair of new triazene compounds by targeted deprotonation: a spectroscopic and theoretical overview - Journal of Molecular Modeling

I am pleased to share our new publication in the Journal of Molecular Modeling “Tweaking the conjugation effects on a pair of new triazene compounds by targeted deprotonation: a spectroscopic and theoretical overview”. This time with , , and implicit vs. explicit solvation. Lots of fun.

link.springer.com/article/10.1

#compchem #steom #tddft

Last updated 1 year ago
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NMR Online + NMRD · @nmronline
191 followers · 206 posts · Server mstdn.science
Open media

Thank you for following us on Twitter/X!

We've had an energetic summer, filled with presentations and positive reviews… phew!

Now, it's time to move forwards, with new ideas and even more tech!

@bioinformatics @biophysics @chemistry @compchem @nmrchat @physics @strucbio

#biochemistry #bioinformatics #biology #biophysics #chemistry #compchem #metabolomics #NMR #NMRchat #nmronline #physics #softwaredevelopment #softwareengineering #structuralbiology #webdev

Last updated 1 year ago
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Henrique C. S. Junior · @hcs
55 followers · 62 posts · Server fediscience.org

I am pleased to share our new publication in the Journal of Molecular Modeling “Tweaking the conjugation effects on a pair of new triazene compounds by targeted deprotonation: a spectroscopic and theoretical overview”. This time with , , and implicit vs. explicit solvation. Lots of fun.

link.springer.com/article/10.1

#compchem #steom #tddft

Last updated 1 year ago
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NMR Online + NMRD · @nmronline
191 followers · 203 posts · Server mstdn.science
Open media

Owning and running my own business has been a lifelong dream.

Today, I (Co-Founder and Co-ordinator) completed the official paperwork, to formally register as a Director of NMR Online Limited.

@bioinformatics @biophysics @chemistry @compchem @nmrchat @physics @strucbio

#biochemistry #bioinformatics #biology #biophysics #chemistry #compchem #metabolomics #NMR #NMRchat #nmronline #physics #softwaredevelopment #softwareengineering #structuralbiology #webdev

Last updated 1 year ago
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Christian Mück-Lichtenfeld · @chrisml
80 followers · 25 posts · Server sciencemastodon.com

A huge milestone and a beautiful result of the ongoing interaction of experimental and computational research at Münster university: "Light Enabled Deracemization of Cyclopropanes by Al Salen Photocatalysis" is published in

@gilmourlab

nature.com/articles/s41586-023

#nature #photocatalysis #compchem #chemistry #organicchemistry

Last updated 1 year ago
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jobRxiv · @jobRxiv
1012 followers · 3731 posts · Server mas.to

Fully funded PhD position on Computational Chemistry/Quantum Alchemy

University of Kassel

We are another PhD student! Come work with us on quantifying material and molecule properties using and Quantum Alchemy.

See the full job description on jobRxiv: jobrxiv.org/job/university-of-...
jobrxiv.org/job/university-of-

#compchem #hiring

Last updated 1 year ago
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NMR Online + NMRD · @nmronline
190 followers · 202 posts · Server mstdn.science
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#biochemistry #bioinformatics #biology #biophysics #chemistry #compchem #ismar #ismar2023 #metabolomics #NMR #NMRchat #nmronline #physics #structuralbiology

Last updated 1 year ago
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Piia Bartos · @piiabartos
440 followers · 136 posts · Server mstdn.science
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Any BLAST users around?

What is this number in the BLAST results? The first number is identity-% and the last is Expect value, but this remains a mystery. It is not the length of the alignment or anything else I can think of...

#blast #question #sequence #alignment #compchem #Science #uniprot #compBio

Last updated 1 year ago
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NMR Online + NMRD · @nmronline
188 followers · 201 posts · Server mstdn.science
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#acsfall2023 #biochemistry #bioinformatics #biology #biophysics #chemistry #compchem #garden #gardening #metabolomics #NMR #NMRchat #nmronline #physics #plants #structuralbiology #sunflower

Last updated 1 year ago
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Henrique C. S. Junior · @hcs
53 followers · 53 posts · Server fediscience.org
MDPI - Thiazolidine-Based Fluorescent Chiral Ionic Liquids for Trace Copper(II) Ion Sensing

🔬 We're pleased to announce the publication of our research paper titled “Thiazolidine-Based Fluorescent Chiral Ionic Liquids for Trace Copper(II) Ion Sensing” in the Compounds journal.
🔗: mdpi.com/2673-6918/3/3/32

#chemistry #DFT #sapt2 #steom #compchem

Last updated 1 year ago
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Henrique C. S. Junior · @hcs
53 followers · 53 posts · Server fediscience.org

Certainly!

🔬 We're pleased to announce the publication of our research paper titled “Thiazolidine-Based Fluorescent Chiral Ionic Liquids for Trace Copper(II) Ion Sensing” in the esteemed Compounds journal. We invite scholars and professionals to access and review our findings.
🔗: mdpi.com/2673-6918/3/3/32

#chemistry #DFT #sapt2 #steom #compchem

Last updated 1 year ago
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Chris Swain · @macinchem
126 followers · 189 posts · Server sciencemastodon.com

Wow! over 190 registrations for the 6th RSC-BMCS / RSC-CICAG Artificial Intelligence in Chemistry Meeting rscbmcs.org/events/aichem23/

#compchem #Cheminformatics

Last updated 1 year ago
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