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Computational Exploration of the Impact of Low‐Spin and High‐Spin Ground State on the Chelating Ability of Dimethylglyoxime Ligand on Dihalo Transition Metal: A QTAIM, EDA, and CDA Analysis.
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- International Journal of Quantum Chemistry, 2024, v. 124, n. 21, p. 1, doi. 10.1002/qua.27495
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- Article
Understanding the Mechanism of Nitrobenzene Nitration with Nitronium Ion: A Molecular Electron Density Theory Study.
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- ChemistrySelect, 2019, v. 4, n. 45, p. 13313, doi. 10.1002/slct.201903699
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- Article
Deciphering the Molecular Mechanism of Intramolecular Reactions from the Perspective of Bonding Evolution Theory.
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- Physchem, 2022, v. 2, n. 3, p. 207, doi. 10.3390/physchem2030015
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- Article
Exploring The Sequence of Electron Density Along The Chemical Reactions Between Carbonyl Oxides And Ammonia/Water Using Bond Evolution Theory.
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- ChemPhysChem, 2021, v. 22, n. 17, p. 1792, doi. 10.1002/cphc.202100221
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- Article
Exploring the Mechanism of the Intramolecular Diels–Alder Reaction of (2 E ,4 Z ,6 Z)-2(allyloxy)cycloocta-2,4,6-trien-1-one Using Bonding Evolution Theory.
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- Molecules, 2023, v. 28, n. 19, p. 6755, doi. 10.3390/molecules28196755
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- Article
Understanding the reactivity and regioselectivity of [3 + 2] cycloaddition reactions between substituted nitrile oxides and methyl acrylate. A molecular electron density theory study.
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- International Journal of Quantum Chemistry, 2017, v. 117, n. 24, p. n/a, doi. 10.1002/qua.25451
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- Article
Decoding the reaction mechanism of the cyclocondensation of ethyl acetate2‐oxo‐2‐(4‐oxo‐4H‐pyrido [1.2‐a] pyrimidin‐3‐yl) polyazaheterocycle and ethylenediamine using bond evolution theory.
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- Journal of Computational Chemistry, 2022, v. 43, n. 14, p. 972, doi. 10.1002/jcc.26853
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- Article