123 related articles for article (PubMed ID: 21709870)
21. How trifluoroacetone interacts with water.
Favero LB; Evangelisti L; Maris A; Vega-Toribio A; Lesarri A; Caminati W
J Phys Chem A; 2011 Sep; 115(34):9493-7. PubMed ID: 21405050
[TBL] [Abstract][Full Text] [Related]
22. Characterization of the conformational probability of N-acetyl-phenylalanyl-NH2 by RHF, DFT, and MP2 computation and AIM analyses, confirmed by jet-cooled infrared data.
Chass GA; Mirasol RS; Setiadi DH; Tang TH; Chin W; Mons M; Dimicoli I; Dognon JP; Viskolcz B; Lovas S; Penke B; Csizmadia IG
J Phys Chem A; 2005 Jun; 109(24):5289-302. PubMed ID: 16839052
[TBL] [Abstract][Full Text] [Related]
23. Structural and conformational properties and intramolecular hydrogen bonding of (methylenecyclopropyl)methanol, as studied by microwave spectroscopy and quantum chemical calculations.
Møllendal H; Frank D; de Meijere A
J Phys Chem A; 2006 May; 110(18):6054-9. PubMed ID: 16671675
[TBL] [Abstract][Full Text] [Related]
24. Structural and conformational properties of 1,1,1-trifluoro-2-propanol investigated by microwave spectroscopy and quantum chemical calculations.
Møllendal H
J Phys Chem A; 2005 Oct; 109(42):9488-93. PubMed ID: 16866398
[TBL] [Abstract][Full Text] [Related]
25. Intramolecular hydrogen bonding in disubstituted ethanes. A comparison of NH...O- and OH...O- Hydrogen bonding through conformational analysis of 4-amino-4-oxobutanoate (succinamate) and monohydrogen 1,4-butanoate (monohydrogen succinate) anions.
Rudner MS; Jeremic S; Petterson KA; Kent DR; Brown KA; Drake MD; Goddard WA; Roberts JD
J Phys Chem A; 2005 Oct; 109(40):9076-82. PubMed ID: 16332014
[TBL] [Abstract][Full Text] [Related]
26. Glycine and its hydrated complexes: a matrix isolation infrared study.
Espinoza C; Szczepanski J; Vala M; Polfer NC
J Phys Chem A; 2010 May; 114(18):5919-27. PubMed ID: 20405902
[TBL] [Abstract][Full Text] [Related]
27. Combined use of molecular dynamics simulations and NMR to explore peptide bond isomerization and multiple intramolecular hydrogen-bonding possibilities in a cyclic pentapeptide, cyclo(Gly-Pro-D-Phe-Gly-Val).
Liu ZP; Gierasch LM
Biopolymers; 1992 Dec; 32(12):1727-39. PubMed ID: 1472655
[TBL] [Abstract][Full Text] [Related]
28. Microwave spectrum of 3-butyne-1-thiol: evidence for intramolecular S-H...pi hydrogen bonding.
Cole GC; Møllendal H; Guillemin JC
J Phys Chem A; 2006 Aug; 110(30):9370-6. PubMed ID: 16869685
[TBL] [Abstract][Full Text] [Related]
29. Conformational stability of cyclobutanol from temperature dependent infrared spectra of xenon solutions, r0 structural parameters, ab initio calculations and vibrational assignment.
Durig JR; Ganguly A; El Defrawy AM; Gounev TK; Guirgis GA
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec; 71(4):1379-89. PubMed ID: 18602334
[TBL] [Abstract][Full Text] [Related]
30. C-H...O hydrogen bonding in 4-phenyl-benzaldehyde: a comprehensive crystallographic, spectroscopic and computational study.
Vaz PD; Nolasco M; Fonseca N; Amado AM; Costa AM; Félix V; Drew MG; Goodfellow BJ; Ribeiro-Claro PJ
Phys Chem Chem Phys; 2005 Aug; 7(16):3027-34. PubMed ID: 16186906
[TBL] [Abstract][Full Text] [Related]
31. Strong N-H...pi hydrogen bonding in amide-benzene interactions.
Ottiger P; Pfaffen C; Leist R; Leutwyler S; Bachorz RA; Klopper W
J Phys Chem B; 2009 Mar; 113(9):2937-43. PubMed ID: 19243205
[TBL] [Abstract][Full Text] [Related]
32. Conformational stabilities and structural parameters of (CH3)(n)CH(3-n) CFO molecules.
Durig DT; Shen S; Li Y; Durig JR
Spectrochim Acta A Mol Biomol Spectrosc; 2004 Jun; 60(7):1481-504. PubMed ID: 15147690
[TBL] [Abstract][Full Text] [Related]
33. Rotational spectra of o-, m-, and p-cyanophenol and internal rotation of p-cyanophenol.
Conrad AR; Barefoot NZ; Tubergen MJ
Phys Chem Chem Phys; 2010 Aug; 12(29):8350-6. PubMed ID: 20502845
[TBL] [Abstract][Full Text] [Related]
34. Characterization of the interaction of Ca2+ with hydroxy and non-hydroxy fatty acid species of cerebroside sulfate by Fourier transform infrared spectroscopy and molecular modeling.
Menikh A; Nyholm PG; Boggs JM
Biochemistry; 1997 Mar; 36(12):3438-47. PubMed ID: 9131993
[TBL] [Abstract][Full Text] [Related]
35. Study of conformations and hydrogen bonds in the configurational isomers of pyrrole-2-carbaldehyde oxime by 1H, 13C and 15N NMR spectroscopy combined with MP2 and DFT calculations and NBO analysis.
Afonin AV; Ushakov IA; Pavlov DV; Ivanov AV; Mikhaleva AI
Magn Reson Chem; 2010 Sep; 48(9):685-92. PubMed ID: 20623827
[TBL] [Abstract][Full Text] [Related]
36. 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]
37. Analysis of conformational equilibria in aplidine using selective excitation 2D NMR spectroscopy and molecular mechanics/dynamics calculations.
Cárdenas F; Caba JM; Feliz M; Lloyd-Williams P; Giralt E
J Org Chem; 2003 Dec; 68(25):9554-62. PubMed ID: 14656079
[TBL] [Abstract][Full Text] [Related]
38. Conformational equilibria in diols: the rotational spectrum of chiral 1,3-butandiol.
Velino B; Favero LB; Maris A; Caminati W
J Phys Chem A; 2011 Sep; 115(34):9585-9. PubMed ID: 21417381
[TBL] [Abstract][Full Text] [Related]
39. Intramolecular pi-type hydrogen bonding and conformations of 3-cyclopenten-1-ol. 1. Theoretical calculations.
Al-Saadi AA; Ocola EJ; Laane J
J Phys Chem A; 2010 Jul; 114(28):7453-6. PubMed ID: 20572652
[TBL] [Abstract][Full Text] [Related]
40. Vibrational spectra, ab initio/DFT electronic structure calculations, and normal coordinate analysis of 2-bromo-5-fluorobenzaldehyde.
Hiremath CS; Sundius T
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Dec; 74(5):1260-7. PubMed ID: 19864179
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]