#IGMPlot

H. K. KHARTABIL

@khartab.bsky.social

2 months ago

🎉Excited to share that our paper has been accepted in @chemicalscience.rsc.org
🧬A visualizable and widely applicable #Steric #Repulsion #descriptor designed to guide #experimental #chemistry 🧑‍🔬⚗️
💎Diamond #OpenAccess🔗http://urlr.me/xSjrCv
#CompChem #ChemSciVoices #MyFirstChemSci #IGMPLOT #NCI

H. K. KHARTABIL

@khartab.bsky.social

7 months ago

💻✨Discover the free and robust IGMPlot software 👉 igmplot.univ-reims.fr which provides multiple molecular modeling hashtag#descriptors and hashtag#indicators for hashtag#comprehensive hashtag#chemical analysis #CompChem #IGMPlot #Pauli #Quantum #Chemistry #Molecular #Design

H. K. KHARTABIL

@khartab.bsky.social

7 months ago

Supporting Information with key #SELF formulas, striking visual analyses, and benchmark data to power the main findings 👉 urlr.me/srAfV4 ✅#CompChem #IGMPlot #Pauli #Quantum #Chemistry #Molecular #Design

H. K. KHARTABIL

@khartab.bsky.social

7 months ago

A Practicable Measure and Spatial Visualization of Steric repulsion with Atomic Resolution Steric repulsion, often regarded as a macroscopic manifestation of the Pauli exclusion principle, which prevents electrons with the same spin from occupying the same space, is experiencing renewed int...

🚨Just published on @chemrxiv.org
👉 is.gd/pgzFrT
The #Steric #Exclusion Localization Function #SELF🤖new approach for 3D steric #repulsion #visualization ⚛️↔️⚛️hotspot ID🧬& atomic contribution quantification #CompChem #IGMPlot #Pauli #Quantum #Chemistry #Molecular #Design #descriptors #indicators #URCA

H. K. KHARTABIL

@khartab.bsky.social

7 months ago

🎉Milestone reached!🧬
Our article just hit 1,500 citations (as of July 27, 2025)👍
Big thanks to the research community!🙏
💻Try IGMPlot, our free software from #Université de #Reims igmplot.univ-reims.fr #NCI #IGMPlot #ElectronDensity #ChemicalBonding #Chemistry #CompChem #MolecularModelling #URCA

H. K. KHARTABIL

@khartab.bsky.social

11 months ago

IGMPlot 3.16.2 is here! (🗓️March 2025) 🔗 Get it free: 👉igmplot.univ-reims.fr 💻 #OpenSource – Made at @universitereims.bsky.social
🔍 Analyze intermolecular interactions like never before! 🧐💡🧬🧪👩‍💻🧑‍💻
#IGMPlot #CompChem #Molecular #Interactions #ScientificSoftware #OpenScience #TopCited #URCA