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How Does Aromaticity Rule the Thermodynamic Stability of Hydroporphyrins?
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- Chemistry - A European Journal, 2011, v. 17, n. 11, p. 3274, doi. 10.1002/chem.201002599
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- Article
Electron density analysis on the alpha acidity of nitriles.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 9, p. 1, doi. 10.1007/s00214-023-03022-8
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- Article
Approximate transferability in alkanenitriles.
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- International Journal of Quantum Chemistry, 2002, v. 86, n. 2, p. 190, doi. 10.1002/qua.1624
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- Article
Do one‐step mechanisms always involve simultaneous evolution of electron density? QTAIM/IQA analysis of the Curtius rearrangement.
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- International Journal of Quantum Chemistry, 2020, v. 120, n. 10, p. 1, doi. 10.1002/qua.26170
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- Article
Molecular Design of Interfaces of Model Food Nanoemulsions: A Combined Experimental and Theoretical Approach.
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- Antioxidants, 2023, v. 12, n. 2, p. 484, doi. 10.3390/antiox12020484
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- Article
Stacking and hydrogen bond interactions between adenine and gallic acid.
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- Journal of Molecular Modeling, 2013, v. 19, n. 12, p. 5293, doi. 10.1007/s00894-013-2025-3
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- Article
Study of electron transport in polybenzenoid chains covalently attached to gold atoms through unsaturated methylene linkers.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 2, p. 1, doi. 10.1007/s00214-015-1620-z
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- Article
A QTAIM-based energy partitioning for understanding the physical origin of conformational preferences: Application to the Z effect in O=C-X-R and related units.
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- Journal of Computational Chemistry, 2012, v. 33, n. 32, p. 2533, doi. 10.1002/jcc.23090
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- Article
Blue-shifting hydrogen bond in the benzene–benzene and benzene–naphthalene complexes.
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- Journal of Computational Chemistry, 2007, v. 28, n. 2, p. 540, doi. 10.1002/jcc.20568
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- Article
Atomic and bond properties in functionalized esters and amides.
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- Journal of Computational Chemistry, 1999, v. 20, n. 13, p. 1444, doi. 10.1002/(SICI)1096-987X(199910)20:13<1444::AID-JCC11>3.0.CO;2-G
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- Article