Methyl‐π Interactions. Nature of Bonding and Limits of Strength.
- Published in:
- Chemistry - A European Journal, 2025, v. 31, n. 19, p. 1, doi. 10.1002/chem.202404712
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- Publication type:
- Article
Works by Scheiner, Steve
Results: 144
1
2
Anions as Lewis Acids in Noncovalent Bonds.
- Published in:
- Chemistry - A European Journal, 2024, v. 30, n. 51, p. 1, doi. 10.1002/chem.202402267
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- Publication type:
- Article
3
Osme Bond: Geometric and Energetic Features in the Adducts between OsO<sub>4</sub> and Lewis Bases.
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- Chemistry - A European Journal, 2024, v. 30, n. 19, p. 1, doi. 10.1002/chem.202304240
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- Publication type:
- Article
4
Monitoring the Charge Distribution during Proton and Sodium Ion Conduction along Chains of Water Molecules and Protein Residues.
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- Israel Journal of Chemistry, 2017, v. 57, n. 5, p. 385, doi. 10.1002/ijch.201600062
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- Publication type:
- Article
5
Ingredients Necessary for Proton Transfer in Enzymes.
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- Israel Journal of Chemistry, 2009, v. 49, n. 2, p. 139, doi. 10.1560/IJC.49.2.139
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- Publication type:
- Article
6
Nature of interactions in open-shell complexes pairing H2X with HXX, X=S,O.
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- Molecular Physics, 2009, v. 107, n. 8-12, p. 713, doi. 10.1080/00268970802397944
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- Publication type:
- Article
7
A DFT/TDDFT study of Group 4A metal porphyrins.
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- Molecular Physics, 2003, v. 101, n. 9, p. 1227, doi. 10.1080/0026897031000092931
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- Publication type:
- Article
8
Unusual substituent effects in the Tr···Te triel bond.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 6, p. 1, doi. 10.1002/qua.26526
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- Publication type:
- Article
9
Comparison of σ‐hole and π‐hole tetrel bonds in complexes of borazine with TH<sub>3</sub>F and F<sub>2</sub>TO/H<sub>2</sub>TO (T = C, Si, Ge).
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- International Journal of Quantum Chemistry, 2019, v. 119, n. 11, p. N.PAG, doi. 10.1002/qua.25910
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- Publication type:
- Article
10
Carbene triel bonds between TrR<sub>3</sub> (Tr = B, Al) and N‐heterocyclic carbenes.
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- International Journal of Quantum Chemistry, 2019, v. 119, n. 8, p. N.PAG, doi. 10.1002/qua.25867
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- Publication type:
- Article
11
Interactions between temozolomide and guanine and its S and Se-substituted analogues.
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- International Journal of Quantum Chemistry, 2017, v. 117, n. 3, p. 157, doi. 10.1002/qua.25294
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- Article
12
On the ability of pnicogen atoms to engage in both σ and π-hole complexes. Heterodimers of ZF<sub>2</sub>C<sub>6</sub>H<sub>5</sub> (Z = P, As, Sb, Bi) and NH<sub>3</sub>.
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- Journal of Molecular Modeling, 2019, v. 25, n. 6, p. N.PAG, doi. 10.1007/s00894-019-4031-6
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- Publication type:
- Article
13
Trapping of Small Molecules within Single or Double Cyclo[18]carbon Rings.
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- Molecules, 2023, v. 28, n. 5, p. 2157, doi. 10.3390/molecules28052157
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- Publication type:
- Article
14
Theoretical Investigation of Geometries and Bonding of Indium Hydrides in the In 2 H x and In 3 H y (x = 0–4,6; y = 0–5) Series.
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- Molecules, 2023, v. 28, n. 1, p. 183, doi. 10.3390/molecules28010183
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- Publication type:
- Article
15
Involvement of Arsenic Atom of AsF 3 in Five Pnicogen Bonds: Differences between X-ray Structure and Theoretical Models.
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- Molecules, 2022, v. 27, n. 19, p. 6486, doi. 10.3390/molecules27196486
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- Publication type:
- Article
16
The Role of Hydrogen Bonds in Interactions between [PdCl 4 ] 2− Dianions in Crystal.
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- Molecules, 2022, v. 27, n. 7, p. 2144, doi. 10.3390/molecules27072144
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- Article
17
Ability of Lewis Acids with Shallow σ-Holes to Engage in Chalcogen Bonds in Different Environments.
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- Molecules, 2021, v. 26, n. 21, p. 6394, doi. 10.3390/molecules26216394
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- Publication type:
- Article
18
Anion–Anion Interactions in Aerogen-Bonded Complexes. Influence of Solvent Environment.
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- Molecules, 2021, v. 26, n. 8, p. 2116, doi. 10.3390/molecules26082116
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- Publication type:
- Article
19
Noncovalent Bonds through Sigma and Pi-Hole Located on the Same Molecule. Guiding Principles and Comparisons.
- Published in:
- Molecules, 2021, v. 26, n. 6, p. 1740, doi. 10.3390/molecules26061740
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- Article
20
Valence Bond Theory—Its Birth, Struggles with Molecular Orbital Theory, Its Present State and Future Prospects.
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- Molecules, 2021, v. 26, n. 6, p. 1624, doi. 10.3390/molecules26061624
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- Article
21
On the Proton-Bound Noble Gas Dimers (Ng-H-Ng) + and (Ng-H-Ng') + (Ng, Ng' = He-Xe): Relationships between Structure, Stability, and Bonding Character.
- Published in:
- Molecules, 2021, v. 26, n. 5, p. 1305, doi. 10.3390/molecules26051305
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- Publication type:
- Article
22
Energetics of Electron Pairs in Electrophilic Aromatic Substitutions.
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- Molecules, 2021, v. 26, n. 2, p. 513, doi. 10.3390/molecules26020513
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- Publication type:
- Article
23
Comparison of Bifurcated Halogen with Hydrogen Bonds.
- Published in:
- Molecules, 2021, v. 26, n. 2, p. 350, doi. 10.3390/molecules26020350
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- Publication type:
- Article
24
Rotational Spectroscopy Meets Quantum Chemistry for Analyzing Substituent Effects on Non-Covalent Interactions: The Case of the Trifluoroacetophenone-Water Complex.
- Published in:
- Molecules, 2020, v. 25, n. 21, p. 4899, doi. 10.3390/molecules25214899
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- Publication type:
- Article
25
Versatility of the Cyano Group in Intermolecular Interactions.
- Published in:
- Molecules, 2020, v. 25, n. 19, p. 4495, doi. 10.3390/molecules25194495
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- Publication type:
- Article
26
Bonding Analysis of Compounds with Unusual Coordination of Carbon: Proposed Symmetric Systems with Six-Coordinate Carbon.
- Published in:
- Molecules, 2020, v. 25, n. 17, p. 3937, doi. 10.3390/molecules25173937
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- Article
27
Mutual Relations between Substituent Effect, Hydrogen Bonding, and Aromaticity in Adenine-Uracil and Adenine-Adenine Base Pairs †.
- Published in:
- Molecules, 2020, v. 25, n. 16, p. 3688, doi. 10.3390/molecules25163688
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- Publication type:
- Article
28
Dimerization of Acetic Acid in the Gas Phase—NMR Experiments and Quantum-Chemical Calculations.
- Published in:
- Molecules, 2020, v. 25, n. 9, p. 2150, doi. 10.3390/molecules25092150
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- Article
29
Competition between Intra and Intermolecular Triel Bonds. Complexes between Naphthalene Derivatives and Neutral or Anionic Lewis Bases.
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- Molecules, 2020, v. 25, n. 3, p. 635, doi. 10.3390/molecules25030635
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- Article
30
Nature of the Interaction of Pyridines with OCS. A Theoretical Investigation.
- Published in:
- Molecules, 2020, v. 25, n. 2, p. 416, doi. 10.3390/molecules25020416
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- Publication type:
- Article
31
Synthesis, X-ray Characterization and Density Functional Theory (DFT) Studies of Two Polymorphs of the α,α,α,α, Isomer of Tetra-p-Iodophenyl Tetramethyl Calix[4]pyrrole: On the Importance of Halogen Bonds.
- Published in:
- Molecules, 2020, v. 25, n. 2, p. 285, doi. 10.3390/molecules25020285
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- Publication type:
- Article
32
Isolation of a Halogen-Bonded Complex Formed between Methane and Chlorine Monofluoride and Characterisation by Rotational Spectroscopy and Ab Initio Calculations.
- Published in:
- Molecules, 2019, v. 24, n. 23, p. 4257, doi. 10.3390/molecules24234257
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- Article
33
Theoretical Studies of IR and NMR Spectral Changes Induced by Sigma-Hole Hydrogen, Halogen, Chalcogen, Pnicogen, and Tetrel Bonds in a Model Protein Environment.
- Published in:
- Molecules, 2019, v. 24, n. 18, p. 3329, doi. 10.3390/molecules24183329
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- Article
34
Effects of Halogen, Chalcogen, Pnicogen, and Tetrel Bonds on IR and NMR Spectra.
- Published in:
- Molecules, 2019, v. 24, n. 15, p. 2822, doi. 10.3390/molecules24152822
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- Article
35
Cis/Trans Energetics in Epoxide, Thiirane, Aziridine and Phosphirane Containing Cyclopentanols: Effects of Intramolecular OH⋯O, S, N and P Contacts.
- Published in:
- Molecules, 2019, v. 24, n. 14, p. 2523, doi. 10.3390/molecules24142523
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- Article
36
Dual Geometry Schemes in Tetrel Bonds: Complexes between TF4 (T = Si, Ge, Sn) and Pyridine Derivatives.
- Published in:
- Molecules, 2019, v. 24, n. 2, p. 376, doi. 10.3390/molecules24020376
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- Publication type:
- Article
37
Differential Binding of Tetrel-Bonding Bipodal Receptors to Monatomic and Polyatomic Anions.
- Published in:
- Molecules, 2019, v. 24, n. 2, p. 227, doi. 10.3390/molecules24020227
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- Publication type:
- Article
38
Calculation of VS,max and Its Use as a Descriptor for the Theoretical Calculation of pKa Values for Carboxylic Acids.
- Published in:
- Molecules, 2019, v. 24, n. 1, p. 79, doi. 10.3390/molecules24010079
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- Publication type:
- Article
39
Crystallographic and Computational Characterization of Methyl Tetrel Bonding in S-Adenosylmethionine-Dependent Methyltransferases.
- Published in:
- Molecules, 2018, v. 23, n. 11, p. 2965, doi. 10.3390/molecules23112965
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- Publication type:
- Article
40
Quantitative Assessment of Tetrel Bonding Utilizing Vibrational Spectroscopy.
- Published in:
- Molecules, 2018, v. 23, n. 11, p. 2763, doi. 10.3390/molecules23112763
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- Article
41
Comparative Strengths of Tetrel, Pnicogen, Chalcogen, and Halogen Bonds and Contributing Factors.
- Published in:
- Molecules, 2018, v. 23, n. 7, p. 1681, doi. 10.3390/molecules23071681
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- Publication type:
- Article
42
Tetrel Bonding Interactions in Perchlorinated Cyclopenta- and Cyclohexatetrelanes: A Combined DFT and CSD Study.
- Published in:
- Molecules, 2018, v. 23, n. 7, p. 1770, doi. 10.3390/molecules23071770
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- Article
43
Comparison between Tetrel Bonded Complexes Stabilized by σ and π Hole Interactions.
- Published in:
- Molecules, 2018, v. 23, n. 6, p. 1416, doi. 10.3390/molecules23061416
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- Article
44
Tetrel Bonds with π-Electrons Acting as Lewis Bases—Theoretical Results and Experimental Evidences.
- Published in:
- Molecules, 2018, v. 23, n. 5, p. 1183, doi. 10.3390/molecules23051183
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- Article
45
Tetrel Bonding as a Vehicle for Strong and Selective Anion Binding.
- Published in:
- Molecules, 2018, v. 23, n. 5, p. 1147, doi. 10.3390/molecules23051147
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- Article
46
Complexes of CO2 with the Azoles: Tetrel Bonds, Hydrogen Bonds and Other Secondary Interactions.
- Published in:
- Molecules, 2018, v. 23, n. 4, p. 906, doi. 10.3390/molecules23040906
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- Publication type:
- Article
47
Halogen Bonds Formed between Substituted Imidazoliums and N Bases of Varying N-Hybridization.
- Published in:
- Molecules, 2017, v. 22, n. 10, p. 1634, doi. 10.3390/molecules22101634
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- Article
48
Special Issue: Intramolecular Hydrogen Bonding 2017.
- Published in:
- Molecules, 2017, v. 22, n. 9, p. 1521, doi. 10.3390/molecules22091521
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- Article
49
Assessment of the Presence and Strength of H-Bonds by Means of Corrected NMR.
- Published in:
- Molecules, 2016, v. 21, n. 11, p. 1426, doi. 10.3390/molecules21111426
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- Article
50
Effects of Angular Deformation on the Energetics of the S<sub>N</sub>2 Reaction.
- Published in:
- European Journal of Organic Chemistry, 2016, v. 2016, n. 23, p. 3964, doi. 10.1002/ejoc.201600712
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- Publication type:
- Article