Search Results - "Yi, Shanfeng"
-
1
DFT study of the carbon- and nitrogen-pivot lariat crown ethers and their complexes with alkali metal cations: Na+, K
Published in Journal of computational chemistry (01-12-2009)“…In this work, a quantum mechanical research of five lariat crown ethers(LCEs), 2‐methoxy‐15‐crown‐5(A), N‐methoxy‐4‐aza‐15‐crown‐5(B),…”
Get full text
Journal Article -
2
Theoretical study of an anti-Markovnikov addition reaction catalyzed by β-cyclodextrin
Published in Journal of molecular modeling (01-04-2018)“…β-Cyclodextrin (β-CD) has a hydrophilic exterior and a hydrophobic internal cavity, which allows it to form host–guest complexes with a wide range of guests,…”
Get full text
Journal Article -
3
Density functional theory study of calix[4]arene-N-azacrown-5, calix[4]arene-N-phenyl-azacrown-5, and their complexes with alkali-metal cations: Na⁺, K⁺, and Rb
Published in Journal of computational chemistry (01-05-2010)“…Theoretical studies of 1,3-alternate-25,27-bis(1-methoxyethyl)calix[4]arene-azacrown-5 (L₁),…”
Get full text
Journal Article -
4
Density functional theory study of the free and tetraprotonated spheroidal macrotricyclic ligands and the complexes with halide anions: F⁻, Cl⁻, Br
Published in Journal of computational chemistry (01-03-2010)“…Theoretical studies of the macrotricyclic tetramine hexaether (SC), its tetraprotonated form SC-4H⁺, and the corresponding complexes X⁻[subset or is implied…”
Get full text
Journal Article