Found: 15
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Inverse Versus Normal Behavior of Interactions, Elucidated Based on the Dynamic Nature with QTAIM Dual-Functional Analysis.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 3, p. 2798, doi. 10.3390/ijms24032798
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- Article
Effects from Basis Sets and Levels of Calculations on the Nature of Interactions Predicted by QTAIM Dual Functional Analysis with QTAIM Functions.
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- ChemistrySelect, 2019, v. 4, n. 20, p. 6198, doi. 10.1002/slct.201900998
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- Article
Dynamic and Static Nature of Br<sub>4</sub>σ(4c–6e) and Se<sub>2</sub>Br<sub>5</sub>σ(7c–10e) in the Selenanthrene System and Related Species Elucidated by QTAIM Dual Functional Analysis with QC Calculations.
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- Bioinorganic Chemistry & Applications, 2020, p. 1, doi. 10.1155/2020/2901439
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- Article
Relativistic Effect on <sup>1</sup> J(M,C) in Me<sub>4</sub>M, Me<sub>3</sub>M<sup>−</sup>, Ph<sub>4</sub>M, and Ph<sub>3</sub>M<sup>−</sup> (M=Pb, Sn, Ge, Si, and/or C): Role of s-Type Lone Pair Orbitals in the Distinct Effect for the Anionic Species
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- ChemPhysChem, 2017, v. 18, n. 18, p. 2466, doi. 10.1002/cphc.201700755
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- Article
Linear Multiselenium Interactions in Dicationic Oligomers of 1,5‐(Diselena)canes: Behavior of Se<sub>mc</sub> σ(m<sub>c</sub>c‐n<sub>e</sub>e) (6≤m<sub>c</sub>≤16) Elucidated with QTAIM Dual Functional Analysis.
- Published in:
- ChemistryOpen, 2021, v. 10, n. 7, p. 655, doi. 10.1002/open.202100118
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- Article
Front Cover: Linear Multiselenium Interactions in Dicationic Oligomers of 1,5‐(Diselena)canes: Behavior of Se<sub>mc</sub> σ(m<sub>c</sub>c‐n<sub>e</sub>e) (6≤m<sub>c</sub>≤16) Elucidated with QTAIM Dual Functional Analysis (ChemistryOpen 7/2021)
- Published in:
- ChemistryOpen, 2021, v. 10, n. 7, p. 653, doi. 10.1002/open.202100119
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- Article
Linear Multiselenium Interactions in Dicationic Oligomers of 1,5-(Diselena)canes: Behavior of Se<sub>m<sub>c</sub></sub> s(m<sub>c</sub>c-n<sub>e</sub>e) (6≤m<sub>c</sub>≤16) Elucidated with QTAIM Dual Functional Analysis.
- Published in:
- ChemistryOpen, 2021, v. 10, n. 7, p. 656, doi. 10.1002/open.202100017
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- Article
Intrinsic Dynamic Nature of Neutral Hydrogen Bonds Elucidated with QTAIM Dual Functional Analysis: Role of the Compliance Force Constants and QTAIM‐DFA Parameters in Stability.
- Published in:
- ChemistryOpen, 2018, v. 7, n. 8, p. 565, doi. 10.1002/open.201800051
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- Article
Front Cover: Intrinsic Dynamic Nature of Neutral Hydrogen Bonds Elucidated with QTAIM Dual Functional Analysis: Role of the Compliance Force Constants and QTAIM‐DFA Parameters in Stability (ChemistryOpen 8/2018).
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- 2018
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- Cover Art
Intrinsic Dynamic Nature of Neutral Hydrogen Bonds Elucidated with QTAIM Dual Functional Analysis: Role of the Compliance Force Constants and QTAIM‐DFA Parameters in Stability.
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- 2018
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- Publication type:
- Interview
Dynamic and static nature of activated interactions in transition states as elucidated by quantum theory of atoms‐in‐molecules dual functional analysis: A case of ligand exchange at the N of sulfonylimino‐λ<sup>3</sup>‐bromanes
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 4, p. N.PAG, doi. 10.1002/qua.26073
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- Article
Behavior of I<sub>4</sub> σ(4c–6e) in tellurolane system and related species, elucidated by QTAIM dual functional analysis with QC calculations.
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- Heteroatom Chemistry, 2018, v. 29, n. 5/6, p. N.PAG, doi. 10.1002/hc.21462
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- Article
Intrinsic Dynamic and Static Nature of Halogen Bonding in Neutral Polybromine Clusters, with the Structural Feature Elucidated by QTAIM Dual-Functional Analysis and MO Calculations.
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- Molecules, 2021, v. 26, n. 10, p. 2936, doi. 10.3390/molecules26102936
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- Article
Intrinsic Dynamic and Static Nature of π···π Interactions in Fused Benzene-Type Helicenes and Dimers, Elucidated with QTAIM Dual Functional Analysis.
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- Nanomaterials (2079-4991), 2022, v. 12, n. 3, p. 321, doi. 10.3390/nano12030321
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- Article
Proposal of pseudo-intrinsic dynamic nature of interactions: simple methods to generate the perturbed structures and to analyze for the prediction of the nature of high reliability, with the applications.
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- ARKIVOC: Online Journal of Organic Chemistry, 2023, v. 2023, p. 93, doi. 10.24820/ark.5550190.p011.883
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- Article