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Free Cyclooctatetraene Dianion: Planarity, Aromaticity, and Theoretical Challenges

A. Sokolov, D. Magers, J. Wu, W. Allen, P. Schleyer, and H. Schaefer. Journal of Chemical Theory and Computation, 9 (10): 4436-4443 (2013)
DOI: 10.1021/ct400642y

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Michaela Karin Ingrid Henry

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Free Cyclooctatetraene Dianion: Planarity, Aromaticity, and Theoretical ChallengesA. Sokolov, D. Magers, J. Wu, W. Allen, P. Schleyer, and H. Schaefer. Journal of Chemical Theory and Computation, 9 (10): 4436-4443 (2013)Psi4: an open-source ab initio electronic structure programJ. Turney, A. Simmonett, R. Parrish, E. Hohenstein, F. Evangelista, J. Fermann, B. Mintz, L. Burns, J. Wilke, M. Abrams and 10 other author(s). Wiley Interdisciplinary Reviews: Computational Molecular Science, 2 (4): 556--565 (2012)Catenanes: A molecular mechanics analysis of the (C13H26)2 Structure 13-13 D2.J. Lii, N. Allinger, C. Hu, and H. III. J. Comput. Chem., 37 (1): 124-129 (2016)The Reaction between Bromine and the Water Dimer and the Highly Exothermic Reverse Reaction.G. Li, H. Wang, Q. Li, Y. Xie, and H. III. J. Comput. Chem., 37 (2): 177-182 (2016)The ab initio limit quartic force field of BH3.M. Schuurman, W. Allen, and H. III. J. Comput. Chem., 26 (11): 1106-1112 (2005)The Configuration Interaction Method: Advances in Highly Correlated ApproachesC. Sherrill, and H. Schaefer III. volume 34 of Advances in Quantum Chemistry, Academic Press, London, (1999)Molecules for materials: Germanium hydride neutrals and anions. Molecular structures, electron affinities, and thermochemistry of GeHn/GeHn- (n = 0-4) and Ge2Hn/Ge2Hn- (n = 0-6).Q. Li, R. Lü, Y. Xie, and H. III. J. Comput. Chem., 23 (16): 1642-1655 (2002)Hyperconjugative effects in π-hydrogen bonding: Theory and experiment.B. Galabov, V. Nikolova, D. Cheshmedzhieva, B. Hadjieva, and H. III. J. Comput. Chem., 39 (10): 527-534 (2018)Structural and electronic property responses to the arsenic/phosphorus exchange in GC-related DNA of the B-form.J. Gu, J. Wang, Y. Xie, J. Leszczynski, and H. III. J. Comput. Chem., 33 (8): 817-821 (2012)Arbitrary order El'yashevich--Wilson B tensor formulas for the most frequently used internal coordinates in molecular vibrational analysesD. Schaefer, and III. The Journal of Chemical Physics, 137 (16): 164103 (October 2012)

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Disambiguation of "Schaefer, Henry F."

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Free Cyclooctatetraene Dianion: Planarity, Aromaticity, and Theoretical Challenges

Please choose a person to relate this publication to

Michaela Karin Ingrid Henry

Madeleine Mary Henry

James Henry

David P Henry

Marie-Louise Henry

Other publications of authors with the same name

Disambiguation

BibSonomy

Disambiguation of "Schaefer, Henry F."

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML Free Cyclooctatetraene Dianion: Planarity, Aromaticity, and Theoretical Challenges

Please choose a person to relate this publication to

Michaela Karin Ingrid Henry

Madeleine Mary Henry

James Henry

David P Henry

Marie-Louise Henry

Other publications of authors with the same name

Disambiguation

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URL
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Chicago
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Free Cyclooctatetraene Dianion: Planarity, Aromaticity, and Theoretical Challenges