164 related articles for article (PubMed ID: 17263413)
21. A high-field solid-state 35/37Cl NMR and quantum chemical investigation of the chlorine quadrupolar and chemical shift tensors in amino acid hydrochlorides.
Chapman RP; Bryce DL
Phys Chem Chem Phys; 2007 Dec; 9(47):6219-30. PubMed ID: 18046471
[TBL] [Abstract][Full Text] [Related]
22. Bulk chemical shifts in hydrogen-bonded systems from first-principles calculations and solid-state-NMR.
Schmidt J; Hoffmann A; Spiess HW; Sebastiani D
J Phys Chem B; 2006 Nov; 110(46):23204-10. PubMed ID: 17107166
[TBL] [Abstract][Full Text] [Related]
23. Structure and Dynamics of the Host-Guest Complex of a Molecular Tweezer: Coupling Synthesis, Solid-State NMR, and Quantum-Chemical Calculations S.P.B. thanks the Alexander von Humboldt Foundation for a research fellowship. C.O. acknowledges financial support by a Liebig "Habilitation" fellowship from the Fonds der Chemischen Industrie (FCI). This work was supported by the Deutsche Forschungsgemeinschaft (SFB 452) and the FCI. We thank Dr. Ingo Schnell for his involvement in the early part of this project, Dr. Kay Saalwächter for advice concerning the heteronuclear experiment, and Dr. Ulrich Burkert for his help during the synthesis of the complex.
Brown SP; Schaller T; Seelbach UP; Koziol F; Ochsenfeld C; Klärner FG; Spiess HW
Angew Chem Int Ed Engl; 2001 Feb; 40(4):717-720. PubMed ID: 11241601
[No Abstract] [Full Text] [Related]
24. Host-guest complexes between an aromatic molecular tweezer and symmetric and unsymmetric dendrimers with a 4,4'-bipyridinium core.
Balzani V; Bandmann H; Ceroni P; Giansante C; Hahn U; Klärner FG; Müller U; Müller WM; Verhaelen C; Vicinelli V; Vögtle F
J Am Chem Soc; 2006 Jan; 128(2):637-48. PubMed ID: 16402852
[TBL] [Abstract][Full Text] [Related]
25. DFT calculations of 1H and 13C NMR chemical shifts in transition metal hydrides.
del Rosal I; Maron L; Poteau R; Jolibois F
Dalton Trans; 2008 Aug; (30):3959-70. PubMed ID: 18648699
[TBL] [Abstract][Full Text] [Related]
26. Protein NMR chemical shift calculations based on the automated fragmentation QM/MM approach.
He X; Wang B; Merz KM
J Phys Chem B; 2009 Jul; 113(30):10380-8. PubMed ID: 19575540
[TBL] [Abstract][Full Text] [Related]
27. DFT calculations as a powerful technique to probe the crystal structure of Al(acac)3.
Amini SK; Tafazzoli M
Magn Reson Chem; 2008 Nov; 46(11):1045-50. PubMed ID: 18802968
[TBL] [Abstract][Full Text] [Related]
28. An NMR crystallographic approach for the determination of the hydrogen substructure of nitrogen bonded protons.
Seyfarth L; Senker J
Phys Chem Chem Phys; 2009 May; 11(18):3522-31. PubMed ID: 19421557
[TBL] [Abstract][Full Text] [Related]
29. Selectivity of guest-host interactions in self-assembled hydrogen-bonded nanostructures observed by NMR.
Brunklaus G; Koch A; Sebastiani D; Spiess HW
Phys Chem Chem Phys; 2007 Aug; 9(32):4545-51. PubMed ID: 17690780
[TBL] [Abstract][Full Text] [Related]
30. Chromophore/DNA interactions: femto- to nanosecond spectroscopy, NMR structure, and electron transfer theory.
von Feilitzsch T; Tuma J; Neubauer H; Verdier L; Haselsberger R; Feick R; Gurzadyan G; Voityuk AA; Griesinger C; Michel-Beyerle ME
J Phys Chem B; 2008 Jan; 112(3):973-89. PubMed ID: 18163608
[TBL] [Abstract][Full Text] [Related]
31. 2D multinuclear NMR, hyperpolarized xenon and gas storage in organosilica nanochannels with crystalline order in the walls.
Comotti A; Bracco S; Valsesia P; Ferretti L; Sozzani P
J Am Chem Soc; 2007 Jul; 129(27):8566-76. PubMed ID: 17579407
[TBL] [Abstract][Full Text] [Related]
32. Alternative donor-acceptor stacks from crown ethers and naphthalene diimide derivatives: rapid, selective formation from solution and solid state grinding.
Koshkakaryan G; Klivansky LM; Cao D; Snauko M; Teat SJ; Struppe JO; Liu Y
J Am Chem Soc; 2009 Feb; 131(6):2078-9. PubMed ID: 19161257
[TBL] [Abstract][Full Text] [Related]
33. Interaction between tetramethylcucurbit[6]uril and some pyridine derivates.
Cong H; Tao LL; Yu YH; Tao Z; Yang F; Zhao YJ; Xue SF; Lawrance GA; Wei G
J Phys Chem A; 2007 Apr; 111(14):2715-21. PubMed ID: 17388386
[TBL] [Abstract][Full Text] [Related]
34. Host-guest adaptability within oxothiomolybdenum wheels: structures, studies in solution and DFT calculations.
Lemonnier JF; Floquet S; Kachmar A; Rohmer MM; Bénard M; Marrot J; Terazzi E; Piguet C; Cadot E
Dalton Trans; 2007 Jul; (28):3043-54. PubMed ID: 17622422
[TBL] [Abstract][Full Text] [Related]
35. Experimental and quantum-chemical studies of 1H, 13C and 15N NMR coordination shifts in Pd(II) and Pt(II) chloride complexes with quinoline, isoquinoline, and 2,2'-biquinoline.
Pazderski L; Tousek J; Sitkowski J; Kozerski L; Szłyk E
Magn Reson Chem; 2007 Dec; 45(12):1059-71. PubMed ID: 18044805
[TBL] [Abstract][Full Text] [Related]
36. On the origin of the color in the solid state. Crystal structure and optical and magnetic properties of 4-cyanopyridinium hydrogensquarate monohydrate.
Koleva BB; Kolev T; Seidel RW; Mayer-Figge H; Spiteller M; Sheldrick WS
J Phys Chem A; 2008 Apr; 112(13):2899-905. PubMed ID: 18281965
[TBL] [Abstract][Full Text] [Related]
37. NMR chemical shifts of the rhodopsin chromophore in the dark state and in bathorhodopsin: a hybrid QM/MM molecular dynamics study.
Röhrig UF; Sebastiani D
J Phys Chem B; 2008 Jan; 112(4):1267-74. PubMed ID: 18177030
[TBL] [Abstract][Full Text] [Related]
38. A kinetic study of guest displacement reactions on a host-guest complex with a photoswitchable calixarene.
Letzel MC; Schäfer C; Novara FR; Speranza M; Rozhenko AB; Schoeller WW; Mattay J
J Mass Spectrom; 2008 Nov; 43(11):1553-64. PubMed ID: 18698554
[TBL] [Abstract][Full Text] [Related]
39. The structure of (SCN)(x): a study using molecular and solid-state density functional theory calculations.
Früchtl HA; van Mourik T; Pickard CJ; Woollins JD
Chemistry; 2009 Mar; 15(11):2687-92. PubMed ID: 19177476
[TBL] [Abstract][Full Text] [Related]
40. Determination of protein structures in the solid state from NMR chemical shifts.
Robustelli P; Cavalli A; Vendruscolo M
Structure; 2008 Dec; 16(12):1764-9. PubMed ID: 19081052
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
