List of works - Małgorzata M Szcześniak

A density functional theory approach to noncovalent interactions via interacting monomer densities

scientific article published on 14 October 2010

Ab initio long-range interaction and adiabatic channel capture model for ultracold reactions between the KRb molecules

scientific article published on 01 September 2012

Ab initio study of the Br(2P)-HBr van der Waals complex

scientific article published on 01 May 2009

Assessment of SAPT(DFT) with meta-GGA functionals

scientific article published on 15 April 2020

Aurophilic Interactions from Wave Function, Symmetry-Adapted Perturbation Theory, and Rangehybrid Approaches.

scientific article published on 22 July 2011

Density functional theory approach to gold-ligand interactions: separating true effects from artifacts

scientific article published on 01 June 2014

Density functional theory approach to noncovalent interactions via monomer polarization and Pauli blockade

scientific article published on 21 April 2010

Density-dependent onset of the long-range exchange: a key to donor-acceptor properties

scientific article published on 05 November 2013

Dispersion-free component of non-covalent interaction via mutual polarization of fragment densities.

scientific article published in May 2012

Electronic structure and spin coupling of the manganese dimer: The state of the art of ab initio approach

scientific article published on 01 January 2010

Employing Range Separation on the meta-GGA Rung: New Functional Suitable for Both Covalent and Noncovalent Interactions. ⬇️

scientific article

Europium dimer: van der Waals molecule with extremely weak antiferromagnetic spin coupling

scientific article published on 01 December 2009

Interaction potentials for Br(-)-Rg (Rg=He-Rn): spectroscopy and transport coefficients

scientific article published on 01 August 2006

Interaction potentials of the RG-I anions, neutrals, and cations (RG = He, Ne, Ar)

scientific article published on 01 May 2005

Interactions in open-shell clusters: ab initio study of pre-reactive complex O(3P) + HCl

scientific article published on 01 December 2005

Interactions of transition metal atoms in high-spin states: Cr2, Sc-Cr, and Sc-Kr

scientific article published on 01 December 2007

Noncovalent interactions determine the conformation of aurophilic complexes with 2-mercapto-4-methyl-5-thiazoleacetic acid ligands.

scientific article published in July 2015

Optical absorption spectra of gold clusters Aun (n = 4, 6, 8,12, 20) from long-range corrected functionals with optimal tuning ⬇️

scientific article published on September 21, 2012

Range-Separated meta-GGA Functional Designed for Noncovalent Interactions ⬇️

scientific article published in October 2014

Study of ArO- and ArO via slow photoelectron velocity-map imaging spectroscopy and Ab initio calculations.

scientific article published in April 2009

Study of KrO- and KrO via slow photoelectron velocity-map imaging spectroscopy and ab initio calculations.

scientific article published in December 2009

Suppression of angular forces in collisions of non-S-state transition metal atoms

scientific article published on 03 January 2005

Symmetry-adapted perturbation theory based on unrestricted Kohn-Sham orbitals for high-spin open-shell van der Waals complexes

scientific article published on 01 October 2012

The nature of interactions between clusters of Mg and Zn with HCN from symmetry-adapted perturbation theory based of DFT

scientific article published on 01 June 2009

The nature of three-body interactions in DFT: Exchange and polarization effects.

scientific article published in August 2017

Tuned range-separated hybrid functionals in the symmetry-adapted perturbation theory

scientific article published on 01 October 2014

van der Waals interactions and dipole polarizabilities of lanthanides: Tm(2F)-He and Yb(1S)-He potentials

scientific article published on 01 March 2006

List of works by Małgorzata M Szcześniak