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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

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Reference TypeJournal (article/letter/editorial)
TitleCyclic and Acyclic Fructose Conformers in the Gas Phase: A Large-Scale Second-Order Perturbation Theory Study
JournalThe Journal of Physical Chemistry A
AuthorsSzczepaniak, MarekAuthor
Moc, JerzyAuthor
Year2014 (September 11)Volume118
Issue36
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp505719mSearch in ResearchGate
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Mindat Ref. ID3963871Long-form Identifiermindat:1:5:3963871:9
GUID0
Full ReferenceSzczepaniak, 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
Plain TextSzczepaniak, 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
In(2014, September) The Journal of Physical Chemistry A Vol. 118 (36) 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 (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
Sun, Hongyan, Zhang, Peng, Law, Chung K. (2012) Gas-Phase Kinetics Study of Reaction of OH Radical with CH3NHNH2 by Second-Order Multireference Perturbation Theory. The Journal of Physical Chemistry A, 116 (21). 5045-5056 doi:10.1021/jp3021529
Hirata, So, He, Xiao, Hermes, Matthew R., Willow, Soohaeng Y. (2014) Second-Order Many-Body Perturbation Theory: An Eternal Frontier. The Journal of Physical Chemistry A, 118 (4). 655-672 doi:10.1021/jp410587b
Piqueras, Mari Carmen, Crespo, Raül, Michl, Josef (2003) The Transoid, Ortho, and Gauche Conformers of Decamethyl-n-tetrasilane,n-Si4Me10:  Electronic Transitions in the Multistate Complete Active Space Second-Order Perturbation Theory Description. The Journal of Physical Chemistry A, 107 (23). 4661-4668 doi:10.1021/jp022675p
Wang, Zhenling; Shen, Yao; Head-Gordon, Martin (2026) Third-Order Perturbation Theory Made Regular: A Noniterative Correction to the Size-Consistent Second-Order Brillouin–Wigner Perturbation Theory. The Journal of Physical Chemistry Letters, 17 (4). doi:10.1021/acs.jpclett.5c03877
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
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
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Francisco, Joseph S. (2000) Coupled Cluster and Second-Order Møller−Plesset Perturbation Studies of the Mechanism of the Gas-Phase Atom−Radical Reaction of Atomic Hydrogen with CF2Radical. The Journal of Physical Chemistry A, 104 (7). 1499-1504 doi:10.1021/jp992319f
 
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