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Autor publikacji Marek Szczepaniak

2020

Elusive cyanoform: computational probing its stability and reactivity with accurate ab initio methods.

Szczepaniak Marek, Moc Jerzy

2017

Anomerization reaction of bare and microhydrated D-erythrose via explicitly correlated coupled cluster approach. Two water molecules are optimal.

Szczepaniak Marek, Moc Jerzy

2017

Cyanoform and its isomers. Relative stabilities, spectroscopic features, and rearrangements by coupled cluster and MCSCF-based methods.

Szczepaniak Marek, Moc Jerzy

2015

Tautomers of gas-phase erythrose and their interconversion reactions: insights from high-level ab initio study.

Szczepaniak Marek, Moc Jerzy

2014

Conformational studies of gas-phase ribose and 2-deoxyribose by density functional, second order PT and multi-level method calculations: the pyranoses, furanoses, and open-chain structures.

Szczepaniak Marek, Moc Jerzy

2014

Cyclic and acyclic fructose conformers in the gas phase: a large-scale second-order perturbation theory study.

Szczepaniak Marek, Moc Jerzy