Top Tweets for #MultipoleModel

about 1 year ago

Andrej Hlinčík et al.: On the flexibility of the multipole model refinement. A DFT benchmark study of the tetrakis(μ-acetato)diaquadicopper model system #HansenCoppensModel #MultipoleModel #Benchmarking ... #IUCr https://t.co/GTokEldi0b

302

IUCrJ @IUCrJ

over 1 year ago

S. Pawlędzio et al.: Understanding the selectivity of nonsteroidal anti-inflammatory drugs for cyclooxygenases using quantum crystallography and electrostatic interaction energy #MultipoleModel #NSAIDs #Ibuprofen ... #IUCr https://t.co/0dyYVfm9KS

298

Acta Cryst B @ActaCrystB

over 2 years ago

Regine Herbst-Irmer: In data we trust: X-ray diffraction experiments for charge density investigations #DataQuality #ChargeDensity #MultipoleModel @unigoettingen... #IUCr https://t.co/UryVe2YNQE

Molecules MDPI @Molecules_MDPI

over 3 years ago

#HighlyCitedPaper #HighlyAccessedPaper Further Validation of Quantum Crystallography Approaches By:Krzysztof Woźniak, et al. 👉https://t.co/CpyVzP9uEM 📌#multipolemodel #normalmoderefinement #Hirshfeldatomrefinement #transferableasphericalatommodel #chargedensity @ChemMatSci_MDPI

Molecules_MDPI's tweet photo. #HighlyCitedPaper #HighlyAccessedPaper
Further Validation of Quantum Crystallography Approaches
By:Krzysztof Woźniak, et al.
👉https://t.co/CpyVzP9uEM
📌#multipolemodel #normalmoderefinement #Hirshfeldatomrefinement #transferableasphericalatommodel #chargedensity
@ChemMatSci_MDPI https://t.co/XIyWtBD2tu

246

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