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Szczepaniak, Marek, Moc, Jerzy (2015) Tautomers of Gas-Phase Erythrose and Their Interconversion Reactions: Insights from High-Level ab Initio Study. The Journal of Physical Chemistry A, 119 (44). 10946-10958 doi:10.1021/acs.jpca.5b07720

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Reference TypeJournal (article/letter/editorial)
TitleTautomers of Gas-Phase Erythrose and Their Interconversion Reactions: Insights from High-Level ab Initio Study
JournalThe Journal of Physical Chemistry A
AuthorsSzczepaniak, MarekAuthor
Moc, JerzyAuthor
Year2015 (November 5)Volume119
Issue44
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jpca.5b07720Search in ResearchGate
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Mindat Ref. ID3965543Long-form Identifiermindat:1:5:3965543:3
GUID0
Full ReferenceSzczepaniak, Marek, Moc, Jerzy (2015) Tautomers of Gas-Phase Erythrose and Their Interconversion Reactions: Insights from High-Level ab Initio Study. The Journal of Physical Chemistry A, 119 (44). 10946-10958 doi:10.1021/acs.jpca.5b07720
Plain TextSzczepaniak, Marek, Moc, Jerzy (2015) Tautomers of Gas-Phase Erythrose and Their Interconversion Reactions: Insights from High-Level ab Initio Study. The Journal of Physical Chemistry A, 119 (44). 10946-10958 doi:10.1021/acs.jpca.5b07720
In(2015, November) The Journal of Physical Chemistry A Vol. 119 (44) American Chemical Society (ACS)

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Szczepaniak, Marek, Moc, Jerzy (2020) Elusive Cyanoform: Computational Probing Its Stability and Reactivity with Accurate Ab Initio Methods. The Journal of Physical Chemistry A, 124 (13). 2634-2648 doi:10.1021/acs.jpca.0c00540
Szczepaniak, Marek, Moc, Jerzy (2014) Cyclic and Acyclic Fructose Conformers in the Gas Phase: A Large-Scale Second-Order Perturbation Theory Study. The Journal of Physical Chemistry A, 118 (36). 7925-7938 doi:10.1021/jp505719m
Szczepaniak, Marek, Moc, Jerzy (2017) Cyanoform and Its Isomers. Relative Stabilities, Spectroscopic Features, and Rearrangements by Coupled Cluster and MCSCF-Based Methods. The Journal of Physical Chemistry A, 121 (6). 1319-1327 doi:10.1021/acs.jpca.6b10951
Szczepaniak, Marek, Moc, Jerzy (2017) Anomerization reaction of bare and microhydratedd-erythrose via explicitly correlated coupled cluster approach. Two water molecules are optimal. Journal of Computational Chemistry, 38 (5). 288-303 doi:10.1002/jcc.24680
Lapere, Kim M. L., Kettner, Marcus, Watson, Peter D., McKinley, Allan J., Wild, Duncan A. (2015) Halide–Nitrogen Gas-Phase Clusters: Anion Photoelectron Spectroscopy and High Level ab Initio Calculations. The Journal of Physical Chemistry A, 119 (37). 9722-9728 doi:10.1021/acs.jpca.5b06348
Moc, Jerzy (2015) Theoretical Investigation of the Reaction Paths of the Aluminum Cluster Cation with Water Molecule in the Gas Phase: A Facile Route for Dihydrogen Release. The Journal of Physical Chemistry A, 119 (32). 8683-8691 doi:10.1021/acs.jpca.5b02123
Moc, Jerzy, Simmie, John M. (2010) 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. The Journal of Physical Chemistry A, 114 (17). 5558-5564 doi:10.1021/jp1009065
Dékány, Attila Á., Kovács, Gyula Z., Czakó, Gábor (2021) High-Level Systematic Ab Initio Comparison of Carbon- and Silicon-Centered SN2 Reactions. The Journal of Physical Chemistry A, 125 (44) 9645-9657 doi:10.1021/acs.jpca.1c07574
Schweigert, Igor V. (2015) Ab Initio Molecular Dynamics of High-Temperature Unimolecular Dissociation of Gas-Phase RDX and Its Dissociation Products. The Journal of Physical Chemistry A, 119 (12). 2747-2759 doi:10.1021/jp510034p
Zhanpeisov, Nurbosyn U., Šponer, Jiří, Leszczynski, Jerzy (1998) Reverse Watson−Crick Isocytosine−Cytosine and Guanine−Cytosine Base Pairs Stabilized by the Formation of the Minor Tautomers of Bases. An ab Initio Study in the Gas Phase and in a Water Cluster. The Journal of Physical Chemistry A, 102 (50). 10374-10379 doi:10.1021/jp9827126
González, Ana I., Luna, Alberto, Yáñez, Manuel (1999) High-Level ab Initio Calculations on the Gas-Phase Reactions between C+(2P) and Formic Acid. The Journal of Physical Chemistry A, 103 (23). 4543-4552 doi:10.1021/jp990545j
 
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