These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
195 related articles for article (PubMed ID: 27409605)
1. Replacement of Oxygen by Sulfur in Small Organic Molecules. 3. Theoretical Studies on the Tautomeric Equilibria of the 2OH and 4OH-Substituted Oxazole and Thiazole and the 3OH and 4OH-Substituted Isoxazole and Isothiazole in the Isolated State and in Solution. Nagy PI Int J Mol Sci; 2016 Jul; 17(7):. PubMed ID: 27409605 [TBL] [Abstract][Full Text] [Related]
2. Theoretical in-Solution Conformational/Tautomeric Analyses for Chain Systems with Conjugated Double Bonds Involving Nitrogen(s). Nagy PI Int J Mol Sci; 2015 May; 16(5):10767-96. PubMed ID: 25984602 [TBL] [Abstract][Full Text] [Related]
3. Theoretical studies of the solvent effect on the conformation of the HO-C-C-X (X = F, NH2, NO2) moiety with competing intra- and intermolecular hydrogen bonds. Nagy PI J Phys Chem A; 2012 Jul; 116(29):7726-41. PubMed ID: 22731938 [TBL] [Abstract][Full Text] [Related]
4. Theoretical Investigation of Tautomeric Equilibria for Isonicotinic Acid, 4-Pyridone, and Acetylacetone in Vacuo and in Solution. Nagy PI; Alagona G; Ghio C J Chem Theory Comput; 2007 Jul; 3(4):1249-66. PubMed ID: 26633199 [TBL] [Abstract][Full Text] [Related]
5. Theoretical study of the gauche-trans equilibrium with and without an intramolecular hydrogen bond for +H3NCH2CH2X systems (X = OH, NH2, COO-) in solution. Nagy PI Phys Chem Chem Phys; 2012 Oct; 14(40):13955-62. PubMed ID: 22977886 [TBL] [Abstract][Full Text] [Related]
6. Are the intramolecular O-H···F and O-H···Cl hydrogen bonds maintained in solution? A theoretical study. Nagy PI J Phys Chem A; 2013 Apr; 117(13):2812-26. PubMed ID: 23480798 [TBL] [Abstract][Full Text] [Related]
7. Theoretical and experimental studies of the isomeric protonation in solution for a prototype aliphatic ring containing two nitrogens. Nagy PI; Maheshwari A; Kim YW; Messer WS J Phys Chem B; 2010 Jan; 114(1):349-60. PubMed ID: 19994881 [TBL] [Abstract][Full Text] [Related]
8. In-solution conformational analysis of the XCYCH3 moiety for small esters and ethers with all combinations of X, Y = O, S. Nagy PI Molecules; 2013 Jul; 18(7):8063-82. PubMed ID: 23884136 [TBL] [Abstract][Full Text] [Related]
9. Theoretical study of the enol imine <--> enaminone tautomeric equilibrium in organic solvents. Nagy PI; Fabian WM J Phys Chem B; 2006 Dec; 110(49):25026-32. PubMed ID: 17149926 [TBL] [Abstract][Full Text] [Related]
10. Theoretical studies of the tautomeric equilibria for five-member N-heterocycles in the gas phase and in solution. Nagy PI; Tejada FR; Messer WS J Phys Chem B; 2005 Dec; 109(47):22588-602. PubMed ID: 16853941 [TBL] [Abstract][Full Text] [Related]
11. 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]
12. Theoretical studies of the in-solution isomeric protonation of non-aromatic six-member rings with two nitrogens. Nagy PI; Messer WS J Phys Chem B; 2011 Apr; 115(16):4758-67. PubMed ID: 21452810 [TBL] [Abstract][Full Text] [Related]
13. On the interaction of aliphatic amines and ammonium ions with carboxylic acids in solution and in receptor pockets. Nagy PI; Erhardt PW J Phys Chem B; 2012 May; 116(18):5425-36. PubMed ID: 22510106 [TBL] [Abstract][Full Text] [Related]
14. Combined ab initio/DFT and Monte Carlo calculation of relative standard chemical potentials in solution. Nagy PI J Phys Chem B; 2011 Aug; 115(31):9634-45. PubMed ID: 21682330 [TBL] [Abstract][Full Text] [Related]
15. Reaction mechanism and tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution: a combined Monte Carlo and quantum mechanics study. Lima MC; Coutinho K; Canuto S; Rocha WR J Phys Chem A; 2006 Jun; 110(22):7253-61. PubMed ID: 16737277 [TBL] [Abstract][Full Text] [Related]
16. Intramolecular Interactions in Derivatives of Uracil Tautomers. Wieczorkiewicz PA; Krygowski TM; Szatylowicz H Molecules; 2022 Oct; 27(21):. PubMed ID: 36364066 [TBL] [Abstract][Full Text] [Related]
17. Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions. Marenich AV; Cramer CJ; Truhlar DG J Phys Chem B; 2009 May; 113(18):6378-96. PubMed ID: 19366259 [TBL] [Abstract][Full Text] [Related]
18. Microsolvation of thiosulfuric acid and its tautomeric anions [HSSO(3)](-) and [SSO(2)(OH)](-) studied by B3LYP-PCM and G3X(MP2) calculations. Steudel R; Steudel Y J Phys Chem A; 2009 Sep; 113(36):9920-33. PubMed ID: 19685866 [TBL] [Abstract][Full Text] [Related]
19. Density Functional Theory Applied to Excited State Intramolecular Proton Transfer in Imidazole-, Oxazole-, and Thiazole-Based Systems. de Carvalho F; Coutinho Neto MD; Bartoloni FH; Homem-de-Mello P Molecules; 2018 May; 23(5):. PubMed ID: 29883373 [TBL] [Abstract][Full Text] [Related]
20. Solvation free energies of molecules. The most stable anionic tautomers of uracil. Haranczyk M; Gutowski M; Warshel A Phys Chem Chem Phys; 2008 Aug; 10(30):4442-8. PubMed ID: 18654684 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]