| 1 |
Elusive Cyanoform: Computational Probing Its Stability and Reactivity with Accurate Ab Initio Methods
Szczepaniak M, Moc J
Journal of Physical Chemistry A, 124(13), 2634, 2020 |
| 2 |
Cyanoform and Its Isomers. Relative Stabilities, Spectroscopic Features, and Rearrangements by Coupled Cluster and MCSCF-Based Methods
Szczepaniak M, Moc J
Journal of Physical Chemistry A, 121(6), 1319, 2017 |
| 3 |
Adsorption, Dissociation, and Dehydrogenation of Water Monomer and Water Dimer on the Smallest 3D Aluminum Particle. The O-H Dissociation Barrier Disappears for the Dimer
Moc J
Journal of Physical Chemistry A, 120(43), 8725, 2016 |
| 4 |
Theoretical Investigation of the Reaction Paths of the Aluminum Cluster Cation with Water Molecule in the Gas Phase: A Facile Route for Dihydrogen Release
Moc J
Journal of Physical Chemistry A, 119(32), 8683, 2015 |
| 5 |
Tautomers of Gas-Phase Erythrose and Their Interconversion Reactions: Insights from High-Level ab Initio Study
Szczepaniak M, Moc J
Journal of Physical Chemistry A, 119(44), 10946, 2015 |
| 6 |
Cyclic and Acyclic Fructose Conformers in the Gas Phase: A Large-Scale Second-Order Perturbation Theory Study
Szczepaniak M, Moc J
Journal of Physical Chemistry A, 118(36), 7925, 2014 |
| 7 |
Ab initio correlated study of the Al13H- anion: Isomers, their kinetic stability and vertical detachment energies
Moc J
Chemical Physics Letters, 521, 12, 2012 |
| 8 |
Dissociative Addition of Water to a Main Group 13 Metal Cluster: Computational Study of the Reaction of Gallium Dinner with H2O
Moc J
Journal of Physical Chemistry A, 116(23), 5681, 2012 |
| 9 |
Hydrogen Abstraction from n-Butanol by the Hydroxyl Radical: High Level Ab Initio Study of the Relative Significance of Various Abstraction Channels and the Role of Weakly Bound Intermediates
Moc J, Simmie JM
Journal of Physical Chemistry A, 114(17), 5558, 2010 |
| 10 |
What is the energy barrier for H-2 dissociation on Group 13 sub-nanosized metal cluster to form dihydride? Density functional dependence study
Moc J
Chemical Physics Letters, 482(1-3), 15, 2009 |
