432 related articles for article (PubMed ID: 19386536)
1. Determination by ultraviolet absorption spectrometry and theoretical calculation of dissociation constant of 1,2,3,9-tetrahydro-4H-carbazol-4-one.
Zhang S; Zhang X; Tang K; Zhou Z
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Aug; 73(4):663-7. PubMed ID: 19386536
[TBL] [Abstract][Full Text] [Related]
2. Ab initio procedure for aqueous-phase pKa calculation: the acidity of nitrous acid.
da Silva G; Kennedy EM; Dlugogorski BZ
J Phys Chem A; 2006 Oct; 110(39):11371-6. PubMed ID: 17004748
[TBL] [Abstract][Full Text] [Related]
3. Determination of the overlapping pK(a) values of chrysin using UV-vis spectroscopy and ab initio methods.
Castro GT; Ferretti FH; Blanco SE
Spectrochim Acta A Mol Biomol Spectrosc; 2005 Nov; 62(1-3):657-65. PubMed ID: 16257773
[TBL] [Abstract][Full Text] [Related]
4. Monte Carlo simulations of the solution structure of simple alcohols in water-acetonitrile mixtures.
Nagy PI; Erhardt PW
J Phys Chem B; 2005 Mar; 109(12):5855-72. PubMed ID: 16851638
[TBL] [Abstract][Full Text] [Related]
5. Experimental and theoretical study of the microsolvation of sodium atoms in methanol clusters: differences and similarities to sodium-water and sodium-ammonia.
Dauster I; Suhm MA; Buck U; Zeuch T
Phys Chem Chem Phys; 2008 Jan; 10(1):83-95. PubMed ID: 18075686
[TBL] [Abstract][Full Text] [Related]
6. Electronic structure and UV spectrum of fenofibrate in solutions.
Le Y; Chen JF; Pu M
Int J Pharm; 2008 Jun; 358(1-2):214-8. PubMed ID: 18457931
[TBL] [Abstract][Full Text] [Related]
7. Unraveling solvent effects on the electronic absorption spectra of TRITC fluorophore in solution: a theoretical TD-DFT/PCM study.
Pedone A; Barone V
Phys Chem Chem Phys; 2010 Mar; 12(11):2722-9. PubMed ID: 20200750
[TBL] [Abstract][Full Text] [Related]
8. Acid dissociation constants of melamine derivatives from density functional theory calculations.
Jang YH; Hwang S; Chang SB; Ku J; Chung DS
J Phys Chem A; 2009 Nov; 113(46):13036-40. PubMed ID: 19845385
[TBL] [Abstract][Full Text] [Related]
9. Spectroscopy of fluoro derivatives of 1H-pyrazolo[3,4-b]quinoline in different solvents.
Kuznik W; Ebothe J; Kityk IV; Plucinski KJ; Gondek E; Szlachcic P; Uchacz T; Armatys P
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Sep; 77(1):130-4. PubMed ID: 20605516
[TBL] [Abstract][Full Text] [Related]
10. Effect on separation of injecting samples in a solvent different from the mobile phase.
Gedicke K; Antos D; Seidel-Morgenstern A
J Chromatogr A; 2007 Aug; 1162(1):62-73. PubMed ID: 17331517
[TBL] [Abstract][Full Text] [Related]
11. Microsolvation of methyl hydrogen peroxide: ab initio quantum chemical approach.
Kulkarni AD; Rai D; Bartolotti LJ; Pathak RK
J Chem Phys; 2009 Aug; 131(5):054310. PubMed ID: 19673565
[TBL] [Abstract][Full Text] [Related]
12. Electrostatic polarization effects and hydrophobic hydration in ethanol-water solutions from molecular dynamics simulations.
Zhong Y; Patel S
J Phys Chem B; 2009 Jan; 113(3):767-78. PubMed ID: 19115819
[TBL] [Abstract][Full Text] [Related]
13. A DFT study of solvation effects on the tautomeric equilibrium and catalytic ylide generation of thiamin models.
Alstrup Lie M; Schiøtt B
J Comput Chem; 2008 May; 29(7):1037-47. PubMed ID: 18058864
[TBL] [Abstract][Full Text] [Related]
14. Solubility of sparingly soluble drug derivatives of anthranilic acid.
Domańska U; Pobudkowska A; Pelczarska A
J Phys Chem B; 2011 Mar; 115(11):2547-54. PubMed ID: 21366210
[TBL] [Abstract][Full Text] [Related]
15. Vibrational spectra of cysteine zwitterion and mechanism of its formation: bulk and specific solvent effects and geometry optimization in aqueous media.
Tiwari S; Mishra PC
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Aug; 73(4):719-29. PubMed ID: 19386537
[TBL] [Abstract][Full Text] [Related]
16. Electronic structure, binding energy, and solvation structure of the streptavidin-biotin supramolecular complex: ONIOM and 3D-RISM study.
Li Q; Gusarov S; Evoy S; Kovalenko A
J Phys Chem B; 2009 Jul; 113(29):9958-67. PubMed ID: 19545155
[TBL] [Abstract][Full Text] [Related]
17. The structure of the protonated adenine dimer by infrared multiple photon dissociation spectroscopy and electronic structure calculations.
Rajabi K; Theel K; Gillis EA; Beran G; Fridgen TD
J Phys Chem A; 2009 Jul; 113(28):8099-107. PubMed ID: 19548662
[TBL] [Abstract][Full Text] [Related]
18. Rare tautomer hypothesis supported by theoretical studies: ab initio investigations of prototropic tautomerism in the N-methyl-p base.
Podolyan Y; Gorb L; Leszczynski J
J Phys Chem A; 2005 Nov; 109(45):10445-50. PubMed ID: 16833342
[TBL] [Abstract][Full Text] [Related]
19. NMR study and quantum mechanical calculations on the 2-[(2-aminoethyl)amino]-ethanol-H2O-CO2 system.
Jakobsen JP; da Silva EF; Krane J; Svendsen HF
J Magn Reson; 2008 Apr; 191(2):304-14. PubMed ID: 18234533
[TBL] [Abstract][Full Text] [Related]
20. Computational determination of aqueous pKa values of protonated benzimidazoles (part 1).
Brown TN; Mora-Diez N
J Phys Chem B; 2006 May; 110(18):9270-9. PubMed ID: 16671744
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
