Ji, Three-Dimensional Structure Constructed via Hydrogen Bonds and π-π Stacking Interaction. Crystal Structure of [Cu(AFO)2(H2O)2](ClO4)2.2(AFO).2H2O (AFO = 4,5-Diazafluoren-9-one), Crystal Research and Technology 35 (8) (2000) 993-1000....
Cg•••CgπstackinginteractionCg(I)Res(I)Cg(J)Cg-CgTransformedJ-PlaneP,Q,R,SAlphaBetaGammaCgI_PerpCgJ_PerpSlippageCg(1)->Cg(1)3.6867(10)-0.75070.5175-0.4106-7.68800.0029.0229.023.2243.2241.789=1/2-X,1/2-Y,1-Z如上数据在cif文件中如何表述(t
We demonstrate that a single amino acid substitution, F84T, akin to the H84T mutation and predicted to remove the pi–pi stacking interaction, does indeed decrease mitogenicity while preserving antiviral activity. F84T still maintains some mitogenic activity, but it stimulates peripheral blood ...
In this work we report the first example of a trinuclear Pt(II) complex with Pt-Pt-Pt bonds that are not facilitated by direct intervention of bridging ligands but are partially held by the attractive -stacking interaction between the units of the 4,4'-dimethyl-2,2'-ligands. The effect ...
What I do expect though, that using much longer cutoffs for basis mighthelp in your case.Now I even remember, that on SIESTA site there were different bases forC and H optimized for say diamond and for adsorption of H on graphene.And the systems requiring to describe weak interaction had...
stacking interactionSupramolecular double-chainAbstract [Cu(C12H8N2)(C4H4O4)(H2O)]2 · C4H6O4 was prepared by the reaction of succinic acid, CuCl2 · 2 H2O, 1,10-phenanthroline (phen = C12H8N2), and Na2CO3 in a CH3OH–H2O solution. The crystal structure (tri...
In the present study, aromatic thermosensitive PM, characterized by π-π stacking interaction, are used to encapsulate an axially solketal-substituted silicon phthalocyanine (Si(sol)2Pc) with enhanced loading capacity, smaller size, and significantly improved retention of Si(sol)2Pc compared with ...
pi-pi stacking interaction4',7-dimethoxylisoflavone, C17H14O4, (I), is linked into a supramolecular structure by a variety of weak but direction-specific intermolecular forces, the molecules are linked into chains through C-H center dot center dot center dot O hydrogen bonds, these chains ...
Pi-stacking interaction perphenazine modified zinc(II) phthalocyanine nanoparticles for photothermal and photodynamic therapyPhotodynamic therapy and photothermal therapy as non-invasive treatment methods have been receiving more and more attention. The report shows that zinc(II) phthalocyanine (Pc2) modified ...
The halogen bonding and pi-pi stacking interactions between pyrazine (C4H4N2) and fluoro substituted iodobenzene C6H5-nFnI (n = 0, 1, 2, 3, 4, and 5) have been discussed at the M062x-D3/aug-cc-pVTZ level. The calculated interaction energy shows that the halogen bonding interactions ...