@RHavenith

My passion for Quantum Chemistry

 Groningen
nl.linkedin.com/in/remco-havenith-22b04b8
Joined October 2020
  • Tweets72
  • Following174
  • Followers282
4Media
Registration for the upcoming Next Gen PV conference is open! nextgen-pv-materials.nl
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Congratulations Christophe and Wietske on your paper. pubs.aip.org/aip/jcp/article…

Spectral decomposition of human BCL2 bonded to a PROTAC

In this study, we have decomposed the linear infrared spectra and two-dimensional infrared spectroscopy of a VHL-recruiting Proteolysis-targeting chimera (PROTA

pubs.aip.org
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Proud to be among the first endorsers of our Women for Quantum Manifesto, at arxiv.org/abs/2407.02612 asking for a change in the current model of scientific leadership, funding, and authority to enhance representation and participation of everyone.

Women for Quantum -- Manifesto of Values

Data show that the presence of women in quantum science is affected by a number of detriments and their percentage decreases even further for higher positions. Beyond data, from our shared...

arxiv.org
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We are looking for a PhD student! The PhD student will work in valence bond theory combined with quantum Monte Carlo techniques. See for more information: rug.nl/about-ug/work-with-us…
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Natalia has published her paper! pubs.rsc.org/en/content/arti…
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Looking for PhD students: rug.nl/about-ug/work-with-us…
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Our latest work on spin crossover systems is out. pubs.rsc.org/en/content/arti…

Changes in aromaticity of spin-crossover complexes: a signature for non-innocent ligands†

The influence of the spin state of the metal centre in spin crossover compounds on the aromaticity of the ligands has been investigated for iron(ii)tris-bi

pubs.rsc.org
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Replying to @MolecolabPisa
Do not miss this #PhD opportunity to work in a diverse network around Europe! A truly interdisciplinary training program at the edge of #compchem and #compbio research. xitter.cf/cour_lab/status/169679…
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Today, I start our Year 1 'Organic Reactions and Mechanisms' course in which I develop a series of simple priority and selectivity rules to help students predict mechanisms, rather than learning them. This paper explains how it works... pubs.acs.org/doi/full/10.102…

Priority and Selectivity Rules To Help Students Predict Organic Reaction Mechanisms

Abstract. Organic reaction mechanisms lie at the heart of developing an understanding of how the molecular world functions. However, many students simply t

pubs.acs.org
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Assistant/Associate Professor Position on Computer-Aided Drug Design open in Groningen ! rug.nl/about-ug/work-with-us…
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Check out our latest work chemistry-europe.onlinelibra…

Revisiting sp2 Dilithio Methandiides: From Geometric Curiosity to Simple Bonding Description

The intriguing tetracoordinate geometry of a dilithio methandiide complex is probed from a coordination chemistry perspective, demonstrating the sp2-hybridized nature of the methandiide carbon and...

chemistry-europe.onlinelibrary.wiley.com
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Check out chemistry-europe.onlinelibra…

A Predictive Model for the Pd‐Catalyzed Site‐Selective Oxidation of Diols

Site-selectivity in the palladium-catalyzed mono-oxidation of diols can be predicted by a model, supported by experiments and computation. It explains the selective oxidation of hydroxy groups in...

chemistry-europe.onlinelibrary.wiley.com
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Kristin Becker has won the best poster award on #IUPAC23-Chains! Congratulations!
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Great day away from the lab with the groups in building 18 (@RHavenith, @tkudernac, @robpollice and @lab_klein). Including a walk on the seabed at low tide in the Wadden Sea, followed by BBQ on the boat.
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"Structure and dynamics of a VHL-recruiting protac' was the invited talk given by Ana Cunha at #Theobio2023 ! Thank you Ana !
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CP2K QM/MM tutorial. Check it out! github.com/arvpinto/enzyme_t…

GitHub - arvpinto/enzyme_neb_cp2k

Contribute to arvpinto/enzyme_neb_cp2k development by creating an account on GitHub.

github.com
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Remco Havenith retweeted
ICQC2023@icqc20233 Apr 2023
icqc2023.org #compchem #conference is HARDCORE and #nanomaterials #materialscience and #biocomp #bioinformatics In love with #chemistry #physics #crystallography #spectroscopy #catalysis #machinelearning
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We continue with our opportunity for all lovers of #theoreticalchemistry... 🇪🇺💡 You can access here: emtccm.org/scholarships/ Welcome!
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mdpi.com/1420-3049/28/2/772

The Halogen Bond in Weakly Bonded Complexes and the Consequences for Aromaticity and Spin-Orbit...

The halogen bond complexes CF3X⋯Y and C2F3X⋯Y, with Y = furan, thiophene, selenophene and X = Cl, Br, I, have been studied by using DFT and CCSD(T) in order to understand which factors govern the...

mdpi.com
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Haven't you heard about the Erasmus Mundus Joint Masters scholarships yet? With these grants you will be able to study our Master and enjoy a year you will never forget! emtccm.org/scholarship-call/… #Scholarships
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