285 related articles for article (PubMed ID: 21338162)
21. Vibrational analysis of amino acids and short peptides in hydrated media. VII. Energy landscapes, energetic and geometrical features of L-histidine with protonated and neutral side chains.
Pflüger F; Hernández B; Ghomi M
J Phys Chem B; 2010 Jul; 114(27):9072-83. PubMed ID: 20568807
[TBL] [Abstract][Full Text] [Related]
22. Theoretical and experimental NMR study of protopine hydrochloride isomers.
Tousek J; Malináková K; Dostál J; Marek R
Magn Reson Chem; 2005 Jul; 43(7):578-81. PubMed ID: 15883981
[TBL] [Abstract][Full Text] [Related]
23. A study of the molecular structure and spectroscopic properties of 3-hydroxy-2-quinoxalinecarboxylic acid by experimental methods and quantum chemical calculations.
Badoğlu S; Yurdakul S
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Jan; 101():14-21. PubMed ID: 23099155
[TBL] [Abstract][Full Text] [Related]
24. Vibrational spectroscopic studies and density functional theory calculations of speciation in the CO2-water system.
Rudolph WW; Fischer D; Irmer G
Appl Spectrosc; 2006 Feb; 60(2):130-44. PubMed ID: 16542564
[TBL] [Abstract][Full Text] [Related]
25. Structure validation of natural products by quantum-mechanical GIAO calculations of 13C NMR chemical shifts.
Barone G; Gomez-Paloma L; Duca D; Silvestri A; Riccio R; Bifulco G
Chemistry; 2002 Jul; 8(14):3233-9. PubMed ID: 12203353
[TBL] [Abstract][Full Text] [Related]
26. Surfactant solutions and porous substrates: spreading and imbibition.
Starov VM
Adv Colloid Interface Sci; 2004 Nov; 111(1-2):3-27. PubMed ID: 15571660
[TBL] [Abstract][Full Text] [Related]
27. Tautomeric equilibria of [1]benzopyrano[3,4-d]imidazol-4(3H)-ones, a theoretical and NMR study.
Contini A; Nava D; Trimarco P
J Org Chem; 2006 Jan; 71(1):159-66. PubMed ID: 16388631
[TBL] [Abstract][Full Text] [Related]
28. Tautomeric equilibrium of uracil and thymine in model protein-nucleic acid contacts. Spectroscopic and quantum chemical approach.
Samijlenko SP; Yurenko YP; Stepanyugin AV; Hovorun DM
J Phys Chem B; 2010 Jan; 114(3):1454-61. PubMed ID: 20047292
[TBL] [Abstract][Full Text] [Related]
29. Solution and solid-state effects on NMR chemical shifts in sesquiterpene lactones: NMR, X-ray, and theoretical methods.
Dračínský M; Buděšínský M; Warżajtis B; Rychlewska U
J Phys Chem A; 2012 Jan; 116(1):680-8. PubMed ID: 22145745
[TBL] [Abstract][Full Text] [Related]
30. Modelling zwitterions in solution: 3-fluoro-γ-aminobutyric acid (3F-GABA).
Cao J; Bjornsson R; Bühl M; Thiel W; van Mourik T
Chemistry; 2012 Jan; 18(1):184-95. PubMed ID: 22161781
[TBL] [Abstract][Full Text] [Related]
31. Production of uremic toxin methylguanidine from creatinine via creatol on activated carbon.
Krawczyk H
J Pharm Biomed Anal; 2009 May; 49(4):945-9. PubMed ID: 19286340
[TBL] [Abstract][Full Text] [Related]
32. Tautomerism of the natural thymidine nucleoside and the antiviral analogue D4T. Structure and influence of an aqueous environment using MP2 and DFT methods.
Alcolea Palafox M; Iza N
Phys Chem Chem Phys; 2010 Jan; 12(4):881-93. PubMed ID: 20066373
[TBL] [Abstract][Full Text] [Related]
33. Calculating the response of NMR shielding tensor σ(31P) and 2J(31P,13C) coupling constants in nucleic acid phosphate to coordination of the Mg2+ cation.
Benda L; Schneider B; Sychrovský V
J Phys Chem A; 2011 Mar; 115(11):2385-95. PubMed ID: 21366222
[TBL] [Abstract][Full Text] [Related]
34. Solid-state tautomerism in 2-carboxyindan-1,3-dione.
Enchev V; Angelova S; Rogojerov M; Monev V; Wawer I; Tkaczyk M; Kostova K
J Phys Chem A; 2011 Mar; 115(10):2026-34. PubMed ID: 21338100
[TBL] [Abstract][Full Text] [Related]
35. New hints on the Ph-driven tautomeric equilibria of the topotecan anticancer drug in aqueous solutions from an integrated spectroscopic and quantum-mechanical approach.
Sanna N; Chillemi G; Grandi A; Castelli S; Desideri A; Barone V
J Am Chem Soc; 2005 Nov; 127(44):15429-36. PubMed ID: 16262406
[TBL] [Abstract][Full Text] [Related]
36. Understanding the NMR chemical shifts for 6-halopurines: role of structure, solvent and relativistic effects.
Standara S; Malináková K; Marek R; Marek J; Hocek M; Vaara J; Straka M
Phys Chem Chem Phys; 2010 May; 12(19):5126-39. PubMed ID: 20445915
[TBL] [Abstract][Full Text] [Related]
37. Intramolecular hydrogen-bonding interactions in 2-nitrosophenol and nitrosonaphthols: ab initio, density functional, and nuclear magnetic resonance theoretical study.
Shchavlev AE; Pankratov AN; Enchev V
J Phys Chem A; 2007 Aug; 111(30):7112-23. PubMed ID: 17616175
[TBL] [Abstract][Full Text] [Related]
38. Solvation and crystal effects in bilirubin studied by NMR spectroscopy and density functional theory.
Rohmer T; Matysik J; Mark F
J Phys Chem A; 2011 Oct; 115(42):11696-714. PubMed ID: 21846145
[TBL] [Abstract][Full Text] [Related]
39. Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solution. guanine: surprising stabilization of rare tautomers in aqueous solution.
Hanus M; Ryjácek F; Kabelác M; Kubar T; Bogdan TV; Trygubenko SA; Hobza P
J Am Chem Soc; 2003 Jun; 125(25):7678-88. PubMed ID: 12812509
[TBL] [Abstract][Full Text] [Related]
40. Complete experimental and theoretical proton and carbon nuclear magnetic resonance spectral assignments, molecular structure and conformational study of 1-cyclohexylpiperazine and 1-(4-pyridyl)piperazine.
Alver O
Magn Reson Chem; 2010 Jan; 48(1):53-60. PubMed ID: 19890942
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]