132 related articles for article (PubMed ID: 21267753)
1. Density functional theory study of the potassium complexation of an unsymmetrical 1,3-alternate calix[4]-crown-5-N-azacrown-5 bearing two different crown rings.
Zheng X; Wang X; Shen K; Miao Y; Ouyang D
J Mol Model; 2011 Oct; 17(10):2659-68. PubMed ID: 21267753
[TBL] [Abstract][Full Text] [Related]
2. 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+.
Zheng X; Wang X; Yi S; Wang N; Peng Y
J Comput Chem; 2010 May; 31(7):1458-68. PubMed ID: 19882730
[TBL] [Abstract][Full Text] [Related]
3. Molecular design of a "molecular syringe" mimic for metal cations using a 1,3-alternate calix[4]arene cavity.
Zheng X; Wang X; Shen K; Wang N; Peng Y
J Comput Chem; 2010 Aug; 31(11):2143-56. PubMed ID: 20186861
[TBL] [Abstract][Full Text] [Related]
4. A B3LYP and MP2 theoretical investigation into host-guest interaction between calix[4]arene and Li(+) or Na (+).
Cao DL; Ren FD; Feng YQ; Liu SN; Chen SS
J Mol Model; 2010 Mar; 16(3):589-98. PubMed ID: 19705171
[TBL] [Abstract][Full Text] [Related]
5. Spectrophotometric study of the supramolecular complexes of [60]- and [70]Fullerenes with biscalix[6]arene and crown[4]calix[6]arene.
Ghosh K; Semwal A; Nayak SK; Banerjee SB; Banerjee M
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Apr; 66(4-5):1122-5. PubMed ID: 16875872
[TBL] [Abstract][Full Text] [Related]
6. Theoretical study of crown ethers with incorporated azobenzene moiety.
Miao Y; Wang X; Ouyang D
J Mol Model; 2012 Mar; 18(3):963-72. PubMed ID: 21643801
[TBL] [Abstract][Full Text] [Related]
7. DFT-B3LYP study of interactions between host biphenyl-1-aza-18-crown-6 ether derivatives and guest Cd(2+): NBO, NEDA, and QTAIM analyses.
Behjatmanesh-Ardakani R; Pourroustaei-Ardakani F; Taghdiri M; Kotena ZM
J Mol Model; 2016 Jul; 22(7):149. PubMed ID: 27271162
[TBL] [Abstract][Full Text] [Related]
8. Structures and energetics of the cation-pi interactions of Li+, Na+, and K+ with cup-shaped molecules: effect of ring addition to benzene and cavity selectivity.
Dinadayalane TC; Afanasiev D; Leszczynski J
J Phys Chem A; 2008 Aug; 112(34):7916-24. PubMed ID: 18672865
[TBL] [Abstract][Full Text] [Related]
9. Potassium ion-selective membrane electrodes based on 1,3-alternate calix[4]crown-5-azacrown-5.
Kim S; Kim H; Noh KH; Lee SH; Kim SK; Kim JS
Talanta; 2003 Dec; 61(5):709-16. PubMed ID: 18969235
[TBL] [Abstract][Full Text] [Related]
10. Computational investigation of a new ion-pair receptor for calix[4]pyrrole.
Xia Y; Wang X; Zhang Y; Luo B; Liu Y
J Mol Model; 2012 Jun; 18(6):2291-9. PubMed ID: 21965033
[TBL] [Abstract][Full Text] [Related]
11. MP2, density functional theory, and molecular mechanical calculations of C-H...pi and hydrogen bond interactions in a cellulose-binding module-cellulose model system.
Mohamed MN; Watts HD; Guo J; Catchmark JM; Kubicki JD
Carbohydr Res; 2010 Aug; 345(12):1741-51. PubMed ID: 20580346
[TBL] [Abstract][Full Text] [Related]
12. Impact of multiple cation-pi interactions upon calix[4]arene substrate binding and specificity.
Macias AT; Norton JE; Evanseck JD
J Am Chem Soc; 2003 Feb; 125(8):2351-60. PubMed ID: 12590565
[TBL] [Abstract][Full Text] [Related]
13. DFT study of glucose based glycolipid crown ethers and their complexes with alkali metal cations Na(+) and K(+).
Nguan H; Ahmadi S; Hashim R
J Mol Model; 2012 Dec; 18(12):5041-50. PubMed ID: 22752540
[TBL] [Abstract][Full Text] [Related]
14. Theoretical study on ion-pair recognition of M(+)X(-) (M = Li, Na, K and X = F, Cl, Br) by formylaminocalix[4]arene derivatives.
Xie J; Jin G; Sun L; Feng W; Lu P; Diao G
J Mol Model; 2012 Dec; 18(12):4985-93. PubMed ID: 22733275
[TBL] [Abstract][Full Text] [Related]
15. Cation-pi interactions with a model for the side chain of tryptophan: structures and absolute binding energies of alkali metal cation-indole complexes.
Ruan C; Yang Z; Hallowita N; Rodgers MT
J Phys Chem A; 2005 Dec; 109(50):11539-50. PubMed ID: 16354046
[TBL] [Abstract][Full Text] [Related]
16. Theoretical study on cyclophane amide molecular receptors and its complexation behavior with TCNQ.
Meenakshi Sundaram SS; Karthick S; Sailaja K; Karkuzhali R; Gopu G
J Photochem Photobiol B; 2020 Jan; 203():111735. PubMed ID: 31864090
[TBL] [Abstract][Full Text] [Related]
17. Synthesis and metal ion complexation studies of proton-ionizable calix.
Kim JS; Shon OJ; Ko JW; Cho MH; Yu IY; Vicens J
J Org Chem; 2000 Apr; 65(8):2386-92. PubMed ID: 10789450
[TBL] [Abstract][Full Text] [Related]
18. DFT study of the carbon- and nitrogen-pivot lariat crown ethers and their complexes with alkali metal cations: Na(+), K(+).
Zheng X; Wang X; Yi S; Wang N; Peng Y
J Comput Chem; 2009 Dec; 30(16):2674-83. PubMed ID: 19399776
[TBL] [Abstract][Full Text] [Related]
19. Experimental and theoretical study of the coordination of 1,2,4-triazolato, tetrazolato, and pentazolato ligands to the [K(18-crown-6)]+ fragment.
Kobrsi I; Zheng W; Knox JE; Heeg MJ; Schlegel HB; Winter CH
Inorg Chem; 2006 Oct; 45(21):8700-10. PubMed ID: 17029381
[TBL] [Abstract][Full Text] [Related]
20. The supramolecularly complexes of calix[4]arene derivatives toward favipiravir antiviral drug (used to treatment of COVID-19): a DFT study on the geometry optimization, electronic structure and infrared spectroscopy of adsorption and sensing.
Yuksel N; Köse A; Fellah MF
J Incl Phenom Macrocycl Chem; 2021; 101(1-2):77-89. PubMed ID: 34121921
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
