A density functional investigation of 1,3-bis(4-nitrophenyl)urea as anion receptor

A density functional investigation of 1,3-bis(4-nitrophenyl)urea as anion receptor

The B3LYP/6-311+G(d,p) optimized structures of 1,3-bis(4-nitrophenyl)urea receptor (1) and its complexes with halide ions F-, Cl-, Br-, oxygen-containing anions NO2-, NO3-, HCO3-, HSO4-, H2PO4-, CH3COO-and C6H5COO-ions were obtained. Binding energies and thermodynamic properties of binding between t...

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Bibliographic Details
Main Authors: Banchob Wanno, Wandee Rakrai, Somchai Keawwangchai, Neramit Morakot, Nongnit Morakot, Nadtanet Nunthaboot, Vithaya Ruangpornvisuti
Other Authors: Mahasarakham University
Format: Article
Published: 2018
Subjects:
Biochemistry, Genetics and Molecular Biology
Chemistry
Physics and Astronomy
Online Access:https://repository.li.mahidol.ac.th/handle/123456789/27219
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Institution: Mahidol University

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https://repository.li.mahidol.ac.th/handle/123456789/27219

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