355 papers found
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Synthesis and structure of 1,3-dimethyl-5-( p -sulfonamide-phenylazo)-6-aminouracil and its Ni(II) complex: Topological insights and investigation for noncovalent interactions
Phosphatase Mimicking Activity of Two Zinc(II) Schiff Base Complexes with Zn2 O2 Cores: NBO Analysis and MEP Calculation to Estimate Non-Covalent Interactions
Importance of R–CF3···O Tetrel Bonding Interactions in Biological Systems
Synthetic Modulation of a Chemosensor Affords Target Metal Ion Switch from Zn2+ to Al3+
Synthesis and supramolecular self-assembly of thioxothiazolidinone derivatives driven by H-bonding and diverse π–hole interactions: A combined experimental and theoretical analysis
Molecular electrostatic potential and “atoms-in-molecules” analyses of the interplay between π-hole and lone pair···π/X-H···π/metal···π interactions
On the Importance of Nonbonding Donor-Acceptor Interactions Involving PO2 . Radicals: An ab Initio Study
On the Importance of Halogen–Halogen Interactions in the Solid State of Fullerene Halides: A Combined Theoretical and Crystallographic Study
The Mouse in a Trap: Observation of a C(sp3)–F···F–C(sp3) Interaction in a Discrete CFC Pair by the Crystal Sponge Method
Selective and Reversible Fluoride Complexation from Water by a Cyclic Tri(phosphonio)methanide Dication
Exploring 3D non-interpenetrated metal–organic framework with malonate-bridged Co(II) coordination polymer: structural elucidation and theoretical study
Isolation of Azadiphosphiridines and Diphosphenimines by Cycloaddition of Azides and a Cationic Diphosphene
Synthesis and crystal structures of three new lead(II) isonicotinoylhydrazone derivatives: Anion controlled nuclearity and dimensionality
Magneto-structural and theoretical study of the weak interactions in a Mn(II) complex with a very unusual N,O-chelating coordination mode of 2-aminoterephthalate
Synthesis, Characterization, DFT Study, Catechol Oxidase and Phenoxazinone Synthase Like Activities of Two New Manganese(IV) Schiff Base Complexes
On the Importance of π-Hole Beryllium Bonds: Theoretical Study and Biological Implications
Competition between lone pair-π, halogen-π and triel bonding interactions involving BX3 (X = F, Cl, Br and I) compounds: an ab initio study
Pseudohalides regulated diverse helicity in copper(II) coordination polymers derived from a bis(aminoethoxy) ligand
Introducing Supramolecular Interactions into Robust Bis(tetrabromocatecholate) Chelated Manganese(III) Systems and Biomimetic Catalytic Activity
NO3− anions can act as Lewis acid in the solid state
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