Ireneusz Grabowski

10PUBLICATIONS
11CO-AUTHORS
Chemical thermodynamics and energeticsMetal organic frameworksTheoretical quantum chemistryOrganometallic chemistry
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Journal

Publications (10)

|Jul 28, 2026
Negative σ-Holes on Fluorine in Molecules Revisited: Halogen Bonding or Counterintuitive, Anti-Electrostatic Interactions?

|Jun 26, 2026
Halogen Bonds or Not? Reassessing Noncovalent Interactions in Crystals of Periodate Anion from the Cambridge Structural Database.

|Jun 26, 2026
Anti-Electrostatic Anion-Anion Noncovalent Interactions Are Not Halogen Bonds: Evidence from X···O Contacts in XO4- Dimers and Oligomers in Crystals Structures.

|May 04, 2026
Molecular Electrostatic Surface Potential: A Predictive Framework for Noncovalent Interactions and Adsorption Characteristics in Molecular Entities.

|Sep 10, 2025
Ultrafast Correlation Energy Estimator.

Mateusz Witkowski, Szymon Śmiga, So Hirata

|May 28, 2025
Ammonia Synthesis over Transition Metal Catalysts: Reaction Mechanisms, Rate-Determining Steps, and Challenges.

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Frequent Collaborators

5 joint publications

Szymon Śmiga

5 joint publications

Pradeep R Varadwaj

5 joint publications

Helder M Marques

3 joint publications

Arpita Varadwaj