Grzegorz Chałasiński

University of Warsaw — Poland

Physics and Astronomy · Physical Sciences

45h-index7.8kcitations174works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(144), Quantum, superfluid, helium dynamics(67), Inorganic Fluorides and Related Compounds(43), Spectroscopy and Quantum Chemical Studies(38), Molecular Spectroscopy and Structure(36)

Publications174 total

First-Order Symmetry-Adapted Perturbation Theory with Double Exchange for Multireference Systems
Journal of Chemical Theory and Computation·2025Open Access
Erratum: “Interaction potentials of the RG-I anions, neutrals, and cations (RG = He, Ne, Ar)” [J. Chem. Phys. 122, 194311 (2005)]
The Journal of Chemical Physics·2024Open Access
Three-body interaction effects in heterolytic hydrogen splitting by frustrated Lewis pairs
Physical Chemistry Chemical Physics·2023
Reassessing the Role of σ Holes in Noncovalent Interactions: It is Pauli Repulsion that Counts
Frontiers in Chemistry·2022· 10 citedOpen Access
Assessment of SAPT(DFT) with meta-GGA functionals
Journal of Molecular Modeling·2020· 9 citedOpen Access
Toward Heterolytic Bond Dissociation of Dihydrogen: The Study of Hydrogen in Arsenolite under High Pressure
The Journal of Physical Chemistry C·2019· 7 cited
Toward Heterolytic Bond Dissociation of Dihydrogen: The Study of Hydrogen in Arsenolite under High Pressure
The Journal of Physical Chemistry·2019
Assessment of Newest Meta-GGA Hybrids for Late Transition Metal Reactivity: Fractional Charge and Fractional Spin Perspective
The Journal of Physical Chemistry C·2018· 24 cited
How and Why Does Helium Permeate Nonporous Arsenolite Under High Pressure?
ChemPhysChem·2018· 15 cited
Theoretical study of the buffer-gas cooling and trapping of CrH(X6Σ+) by 3He atoms
The Journal of Chemical Physics·2016· 5 cited
Employing Range Separation on the meta-GGA Rung: New Functional Suitable for Both Covalent and Noncovalent Interactions
Journal of Chemical Theory and Computation·2016· 10 citedOpen Access
CCDC 1062296: Experimental Crystal Structure Determination
The Cambridge Structural Database·2015Open Access
CCDC 1062297: Experimental Crystal Structure Determination
The Cambridge Structural Database·2015Open Access
CCDC 1062294: Experimental Crystal Structure Determination
The Cambridge Structural Database·2015Open Access
Noncovalent interactions determine the conformation of aurophilic complexes with 2-mercapto-4-methyl-5-thiazoleacetic acid ligands
Dalton Transactions·2015· 5 cited
CCDC 1062295: Experimental Crystal Structure Determination
The Cambridge Structural Database·2015Open Access
Tuned range-separated hybrid functionals in the symmetry-adapted perturbation theory
The Journal of Chemical Physics·2014· 32 citedOpen Access
Density functional theory approach to gold-ligand interactions: Separating true effects from artifacts
The Journal of Chemical Physics·2014· 15 citedOpen Access
Notes on ab initio investigation of the CrH molecule and its interaction with He
arXiv (Cornell University)·2013· 4 citedOpen Access
Density-Dependent Onset of the Long-Range Exchange: A Key to Donor–Acceptor Properties
The Journal of Physical Chemistry A·2013· 41 citedOpen Access
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Frequent Co-authors

M. M. Szczȩśniak(24), Sławomir M. Cybulski(10), Maciej Gutowski(8), Jacek Kłos(8), Steve Scheiner(5), Bogumił Jeziorski(5), Rudolf Burcl(4), F. B. van Duijneveldt(3), Robert Moszyński(3), Krzysztof Szalewicz(3), Sl awomir M. Cybulski(3), Roman V. Krems(3), A. Dalgarno(3), Rick A. Kendall(3), Joop H. van Lenthe(2), Jacob Verbeek(2), Lucjan Piela(2), Piotr Cieplak(2), Beata Kukawska-Tarnawska(2), Robert Bukowski(2)