Weiying He

Physical Inorganic, Bioinorganic, Organometallic, Computational Chemist. Lover of unusual physical properties in Chemistry.

[Ashish Tamhankar @AshishTamhankar]

📢Out now in JPCL @JPhysChem In Solution Identification of the Lysine–NOS-Cysteine Redox Switch in Transaldolase by Sulfur K-Edge X-ray Absorption Spectroscopy!! Great collaboration between @mpicec_press @uniGoettingen @mpi_nat @iitroorkee @synchroSOLEIL
https://t.co/Gn0LKbaGzE

[Ken Lo @bhkenlo]

Correlating Valence and 2p3d RIXS Spectroscopies: A Ligand-Field Study of Spin-Crossover Iron(II) | Inorganic Chemistry https://t.co/H03mBRiWP2 DeBeer and co-workers @InorgChem #iroin #valence #2p3d_TIXS #LIESST #SQUID #MCD #CASCI_NEVPT2 #SCO #HS #LS

[Goldberg Lab @Goldberg_Lab]

Check out our newest @J_A_C_S communication on sulfur oxygenation mediated by a nonheme iron superoxide intermediate. Great job and congratulations @Sudha_Yadav_ and @VishalYadavChem , and an excellent collaboration with Pierre, and @gnljameson!

https://t.co/kEEZwyn5vH

[Sven T. Stripp 🇺🇦🔥🌊 @stripp_lab]

This is a nice & concise review on spectroscopic approaches to iron-sulfur clusters.
I was not aware of the Canadian Journal of Chemistry, tbh... https://t.co/hg8WYoJ7NE

[Mohamed Sabba @ma_sabba]

I have decided to start an NMR blog. https://t.co/NNiA3eWs9J

[John Seed @Johnseedo]

Please enjoy our latest work out now in @NatureChemistry on the synthesis of polar-covalent Th–Sb single, double and triple bonded species, showcasing actinide metal-metal multiple bonding between some of the heaviest ions in the periodic table.

https://t.co/JglsYfYdUh

[Kasper S. Pedersen @kasperspedersen]

🎉 Now in @NatureChemistry!

Tunable valence tautomerism in lanthanide-organic alloys

👉 https://t.co/rGVveUGvZl

We report a complete, abrupt, hysteretic, and fully reversible valence change transition in a samarium-based coordination solid.

🧵Read more below👇

[J. Am. Chem. Soc. @J_A_C_S]

Real-Time Time-Dependent Density Functional Theory for Simulating Nonequilibrium Electron Dynamics | Journal of the American Chemical Society @UNCResearch @UNC @unccollege @uncchemistry #DFT #NonEquilibrium #Electron #Dynamics https://t.co/BxS0VoQe5h

[GⱯGⱯIST OHLⱯLⱯ @gagaistohlala]

Our latest work in @J_A_C_S discusses a WFeS cluster with bridging carbyne and highly activated terminal CO (vCO < 1800 cm-1). Computation identifies an unusual intermediate spin state at Fe promoted by the carbyne. Thanks to everyone for the contribution. https://t.co/htVF3FmkjH

[FACCTs @faccts_orca]

Check out the novel machine learning-based spin-orbit coupling correction for NMR chemical shifts by @GrimmeLab and @BurschMarkus that can be used together with ORCA (@faccts_orca).

https://t.co/qiFzUdxBM6

#NMR #compchem #MachineLearning

[J. Am. Chem. Soc. @J_A_C_S]

Spin Coupling Effect on Geometry-Dependent X-Ray Absorption of Diradicals | Journal of the American Chemical Society @UCB_Chemistry @BerkeleyLab @UCBerkeley #SpinCoupling #Geometry #XRay #Diradicals https://t.co/9jVBP0Yq5W

[J. Am. Chem. Soc. @J_A_C_S]

Direct Probes of π-Delocalization in Resonance-Stabilized Radicals: Hyperfine-Resolved Microwave Spectroscopy of Isotopic Propargyl and Cyanomethyl JACS @CenterForAstro @Harvard @Smithsonian #PiDelocalization #Radicals #Microwave #Propargyl #Cyanomethyl https://t.co/AjxjlErpvI

[Chemistry News @ChemistryNews]

Quantifying the influence of 3d-4s mixing on linearly coordinated metal-ions by L2,3-edge XAS and XMCD https://t.co/QDIuMScBUv

[J. Am. Chem. Soc. @J_A_C_S]

Stimulating Phonon Bottleneck Effect in Organic Semiconductors by Charge-Transfer-Mediated J-Aggregation | Journal of the American Chemical Society @CHNSci @IITGuwahati #Phonon #Bottleneck #Organic #Semiconductors #Jaggregation #ChargeTransfer https://t.co/sPjdgkxIGW

[J. Am. Chem. Soc. @J_A_C_S]

X-ray Spectroscopic Study of the Electronic Structure of a Trigonal High-Spin Fe(IV)═O Complex Modeling Non-Heme Enzyme Intermediates and Their Reactivity | JACS @SSRLnews @SLAClab @StanfordUChem @UCIChemistry @UCIrvine @borovik_lab @OfficialUoM @UoMNews https://t.co/veDuiYnJ63

[Ying Kai LOH @YingKaiLOH]

Super happy to share that our paper has been published in @Nature!!! @MunzDominik

https://t.co/DJgT2fAQYK

[Diogo Alves Gálico @AlvesGalico]

Magneto-optical cryogenic thermometer with an astonishing relative sensitivity of 95.3 % K-1. Yes, we did it!
Check our contribution on Angew. Chem.:
https://t.co/7qni5ETvtA
@m_murugesu @uOttawaScience @uOttawaCHM @uOttawaResearch @angew_chem

[Koichiro MASADA @k_masada]

Our work on a dinuclear Rh(-I)/Rh(I) complex bearing tridentate has finally been published in @ChemicalScience. I am happy to share the unique coordination chemistry of our phosphinine ligand.

https://t.co/3riUzWYxL0