136 related articles for article (PubMed ID: 19281177)
1. Computational studies of load-dependent guest dynamics and free energies of inclusion for CO2 in low-density p-tert-butylcalix[4]arene at loadings up to 2:1.
Daschbach JL; Sun X; Chang TM; Thallapally PK; McGrail BP; Dang LX
J Phys Chem A; 2009 Apr; 113(14):3369-74. PubMed ID: 19281177
[TBL] [Abstract][Full Text] [Related]
2. Free energies of CO2H2 capture by p-tert-butylcalix[4]arene: a molecular dynamics study.
Daschbach JL; Thallapally PK; Atwood JL; McGrail BP; Dang LX
J Chem Phys; 2007 Sep; 127(10):104703. PubMed ID: 17867765
[TBL] [Abstract][Full Text] [Related]
3. Loading-dependent structures of CO2 in the flexible molecular van der Waals host p-tert-butylcalix[4]arene with 1 : 1 and 2 : 1 guest-host stoichiometries.
Udachin KA; Moudrakovski IL; Enright GD; Ratcliffe CI; Ripmeester JA
Phys Chem Chem Phys; 2008 Aug; 10(31):4636-43. PubMed ID: 18665313
[TBL] [Abstract][Full Text] [Related]
4. Grand canonical Monte Carlo studies of CO2 and CH4 adsorption in p-tert-butylcalix[4]arene.
Daschbach JL; Sun X; Thallapally PK; McGrail BP; Dang LX
J Phys Chem B; 2010 May; 114(17):5764-8. PubMed ID: 20387868
[TBL] [Abstract][Full Text] [Related]
5. Simulations of p-tert-butylcalix[4]arene with multiple occupancies of small guest molecules.
Alavi S; Ripmeester JA
Chemistry; 2008; 14(6):1965-71. PubMed ID: 18058785
[TBL] [Abstract][Full Text] [Related]
6. Molecular dynamics simulations of p-tert-butylcalix[4]arene with small guest molecules.
Alavi S; Afagh NA; Ripmeester JA; Thompson DL
Chemistry; 2006 Jul; 12(20):5231-7. PubMed ID: 16528789
[TBL] [Abstract][Full Text] [Related]
7. The effect of guest inclusion on the crystal packing of p-tert-butylcalix[4]arenes.
León S; Leigh DA; Zerbetto F
Chemistry; 2002 Nov; 8(21):4854-66. PubMed ID: 12397587
[TBL] [Abstract][Full Text] [Related]
8. Nonregular structure-property relationships for inclusion parameters of tert-butylcalix[5]arene.
Ziganshin MA; Yakimov AV; Safina GD; Solovieva SE; Antipin IS; Gorbatchuk VV
Org Biomol Chem; 2007 May; 5(9):1472-8. PubMed ID: 17464419
[TBL] [Abstract][Full Text] [Related]
9. How much carbon dioxide can be stored in the structure H clathrate hydrates?: a molecular dynamics study.
Alavi S; Woo TK
J Chem Phys; 2007 Jan; 126(4):044703. PubMed ID: 17286495
[TBL] [Abstract][Full Text] [Related]
10. Molecular dynamics of host-guest complexes of small gas molecules with calix[4]arenes.
Adams JE; Cox JR; Christiano AJ; Deakyne CA
J Phys Chem A; 2008 Jul; 112(30):6829-39. PubMed ID: 18593133
[TBL] [Abstract][Full Text] [Related]
11. Synthesis of mono-, di- and tetra-alkyne functionalized calix[4]arenes: reactions of these multipodal ligands with dicobalt octacarbonyl to give complexes which contain up to eight cobalt atoms.
Chetcuti MJ; Devoille AM; Othman AB; Souane R; Thuéry P; Vicens J
Dalton Trans; 2009 Apr; (16):2999-3008. PubMed ID: 19352528
[TBL] [Abstract][Full Text] [Related]
12. Hydrogen adsorption and diffusion in p-tert-butylcalix[4]arene: an experimental and molecular simulation study.
Alavi S; Woo TK; Sirjoosingh A; Lang S; Moudrakovski I; Ripmeester JA
Chemistry; 2010 Oct; 16(38):11689-96. PubMed ID: 20812314
[TBL] [Abstract][Full Text] [Related]
13. New structural motifs in chromium(iii) calix[4 and 6]arene chemistry.
Redshaw C; Homden D; Hughes DL; Wright JA; Elsegood MR
Dalton Trans; 2009 Feb; (7):1231-42. PubMed ID: 19322496
[TBL] [Abstract][Full Text] [Related]
14. Two related lithium calixarene complexes, [p-tert-butylcalix[4]arene(OMe)(OH)2(OLi)](2).4MeCN and {p-tert-butylcalix[4]arene(OH)2(OLi)[OLi(NCMe)2]}(2).8MeCN, determined using synchrotron radiation.
Lee DS; Elsegood MR; Redshaw C; Zhan S
Acta Crystallogr C; 2009 Aug; 65(Pt 8):m291-5. PubMed ID: 19652303
[TBL] [Abstract][Full Text] [Related]
15. Determination of NMR lineshape anisotropy of guest molecules within inclusion complexes from molecular dynamics simulations.
Alavi S; Dornan P; Woo TK
Chemphyschem; 2008 Apr; 9(6):911-9. PubMed ID: 18386265
[TBL] [Abstract][Full Text] [Related]
16. Crystal structure prediction for cyclotrimethylene trinitramine (RDX) from first principles.
Podeszwa R; Rice BM; Szalewicz K
Phys Chem Chem Phys; 2009 Jul; 11(26):5512-8. PubMed ID: 19551222
[TBL] [Abstract][Full Text] [Related]
17. NMR crystallography of p-tert-butylcalix[4]arene host-guest complexes using 1H complexation-induced chemical shifts.
Brouwer DH; Alavi S; Ripmeester JA
Phys Chem Chem Phys; 2008 Jul; 10(26):3857-60. PubMed ID: 18688383
[TBL] [Abstract][Full Text] [Related]
18. Combined crystallographic and solution molecular dynamics study of allosteric effects in ester and ketone p-tert-butylcalix[4]arene derivatives and their complexes with acetonitrile, Cd(II), and Pb(II).
de Araujo AS; Piro OE; Castellano EE; Danil de Namor AF
J Phys Chem A; 2008 Nov; 112(46):11885-94. PubMed ID: 18942805
[TBL] [Abstract][Full Text] [Related]
19. Nanocrystalline Ag from supramolecular stabilization of metals in 4-tert-butylcalix[4]arene lattices.
Brown PO; Enright GD; Ripmeester JA
Chem Asian J; 2006 Oct; 1(4):529-35. PubMed ID: 17441090
[TBL] [Abstract][Full Text] [Related]
20. Molecular mechanisms of hydrogen-loaded beta-hydroquinone clathrate.
Daschbach JL; Chang TM; Corrales LR; Dang LX; McGrail P
J Phys Chem B; 2006 Sep; 110(35):17291-5. PubMed ID: 16942060
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
