Results 41 to 50 of about 166,291 (161)
Identifying π–π and π–Lone Pair Interactions in a Single-Molecule Junction [PDF]
Noncovalent interactions are essential in determining molecular conformations and assembly architectures, serving as key factors in regulating material properties.
Hongyu Ju (18359274) +6 more
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Anion−π and π−π Cooperative Interactions Regulating the Self-Assembly of Nitrate−Triazine−Triazine Complexes [PDF]
, 2016 We theoretically investigate the cooperative enhancement of the interactions between anions and electron-deficient aromatics by π−π stacking, focusing on the recent crystallographic observation of anion−π−π interactions in a synthesized coordination ...
Maurizio Zaccheddu (2357701) +2 more
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Physical-Organic Studies on Polar–π Interactions [PDF]
, 2022 Nonkovalente interaktioner, der involverer aromatiske ringe, såsom π−π, kation−π, anion−π, XH−π,er blevet identificeret og i vid udstrækning brugt i biologi og kemi.
Jian, Jie
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Do Deuteriums Form Stronger CH−π Interactions? [PDF]
, 2016 The D/H isotope effect for the CH−π interaction was studied experimentally and computationally. First, a series of molecular balances that are very sensitive to changes in the strength of the CH−π interactions in solution were designed.
Perry J. Pellechia (1556914) +5 more
core +3 more sources
A dispersive study of final-state interactions in $$K\rightarrow \pi \pi \pi $$ K → π π π amplitudes
European Physical Journal C: Particles and FieldsA system of dispersive representations of the Omnès–Khuri–Treiman–Sawyer–Wali type for the final-state interactions in the amplitudes of the $$K\rightarrow \pi \pi \pi $$ K → π π π weak transitions is constructed, under the assumptions that CP and ...
Véronique Bernard +3 more
doaj +1 more source
Crystal structure of 1-methoxypyrene
Acta Crystallographica Section E: Crystallographic Communications, 2015 The title compound, C17H12O, crystallized with three independent molecules (A, B and C) in the asymmetric unit. In the crystal, the three independent molecules are linked by π–π interactions [centroid–centroid distances = 3.551 (3)–3.977 (2) Å], which ...
Eric G. Morales-Espinoza +4 more
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Additivity of Cation−π Interactions: An ab Initio Computational Study on π−Cation−π Sandwich Complexes [PDF]
, 2016 The π−cation−π interaction between a cation or a cationic group and several aromatic residues, although rather prevalent in biological systems, has not been studied theoretically. The ab initio MP2 calculations were carried out on the systems composed of
Chum Mok Puah (2703979) +10 more
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Journal of ChemistryThe propensity of halogen-bearing molecules (XF3) in a T-shaped geometry to interact with Lewis bases (LBs) and thereby engage in π-hole interactions in the fashion of F3X⋯LBs (where X = Cl, Br, and I; LB = NH3, N2H2, and N2) complexes was studied using ...
Mahmoud A. A. Ibrahim +5 more
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Crystal structure of 2-(3-bromophenyl)-1,3-dithiane
Acta Crystallographica Section E: Crystallographic Communications, 2015 In the title compound, C10H11BrS2, the 1,3-dithiane ring has a chair conformation with the 1,4-disposed C atoms being above and below the remaining four atoms. The bromobenzene ring occupies an equatorial position and forms a dihedral angle of 86.38 (12)°
Julio Zukerman-Schpector +4 more
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A Preliminary Investigation of the Additivity of π−π or π+−π Stacking and T-Shaped Interactions between Natural or Damaged DNA Nucleobases and Histidine [PDF]
, 2016 Previous computational studies have examined π−π and π+−π stacking and T-shaped interactions in nucleobase−amino acid dimers, yet it is important to investigate how additional amino acids affect these interactions since simultaneous contacts often appear
Lesley R. Rutledge (2145904) +2 more
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