Publications by authors named "Martin Sulka"

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Unveiling hidden dynamic correlations in CASSCF correlation energies by Hartree-Fock nodes.
Martin Šulka, Katarína Šulková, Matúš Dubecký

J Chem Phys· September 2024

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Dynamic and Nondynamic Electron Correlation Energy Decomposition Based on the Node of the Hartree-Fock Slater Determinant.
Martin Šulka, Katarína Šulková, Petr Jurečka, Matúš Dubecký

J Chem Theory Comput· November 2023

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Exploring water adsorption and reactivity in a series of doped aluminum cluster anions.
Martin Šulka, Katarína Šulková, Andrej Antušek

Phys Chem Chem Phys· October 2021

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Fragmentation of natural orbital occupation numbers-based diagnostic of differential multireference character in complexes with hydrogen bonds.
Martin Šulka, Matúš Dubecký

J Comput Chem· March 2021

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Facing the challenge of predicting the standard formation enthalpies of n-butyl-phosphate species with ab initio methods.
Mohamad Saab, Florent Réal, Martin Šulka, Laurent Cantrel, François Virot

J Chem Phys· June 2017

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Theoretical study of plutonium(IV) complexes formed within the PUREX process: a proposal of a plutonium surrogate in fire conditions.
Martin Šulka, Laurent Cantrel, Valérie Vallet

J Phys Chem A· October 2014

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Atmospheric reactivity of CH2ICl with OH radicals: high-level OVOS CCSD(T) calculations for the X-abstraction pathways (X = H, Cl, or I).
Katarína Šulková, Martin Šulka, Florent Louis, Pavel Neogrády

J Phys Chem A· January 2013

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