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.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

159 related articles for article (PubMed ID: 21901202)

  • 1. Quantum-chemical predictions of redox potentials of carbamates in methanol.
    Haya L; Sayago FJ; Mainar AM; Cativiela C; Urieta JS
    Phys Chem Chem Phys; 2011 Oct; 13(39):17696-703. PubMed ID: 21901202
    [TBL] [Abstract][Full Text] [Related]  

  • 2. An evaluation of various computational methods for the treatment of organoselenium compounds.
    Pearson JK; Ban F; Boyd RJ
    J Phys Chem A; 2005 Nov; 109(45):10373-9. PubMed ID: 16833333
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Spectroscopy of free-base N-confused tetraphenylporphyrin radical anion and radical cation.
    Alemán EA; Manríquez Rocha J; Wongwitwichote W; Godínez Mora-Tovar LA; Modarelli DA
    J Phys Chem A; 2011 Jun; 115(24):6456-71. PubMed ID: 21574571
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. Mechanistic insights into triterpene synthesis from quantum mechanical calculations. Detection of systematic errors in B3LYP cyclization energies.
    Matsuda SP; Wilson WK; Xiong Q
    Org Biomol Chem; 2006 Feb; 4(3):530-43. PubMed ID: 16446812
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. Quantum chemical computational studies on 5-(4-bromophenylamino)-2-methylsulfanylmethyl-2H-1,2,3-triazol-4-carboxylic acid ethyl ester.
    Tokatlı A; Ozen E; Ucun F; Bahçeli S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Mar; 78(3):1201-11. PubMed ID: 21247796
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Ab initio and DFT studies on methanol-water clusters.
    Mandal A; Prakash M; Kumar RM; Parthasarathi R; Subramanian V
    J Phys Chem A; 2010 Feb; 114(6):2250-8. PubMed ID: 20104906
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Energy gradients in combined fragment molecular orbital and polarizable continuum model (FMO/PCM) calculation.
    Li H; Fedorov DG; Nagata T; Kitaura K; Jensen JH; Gordon MS
    J Comput Chem; 2010 Mar; 31(4):778-90. PubMed ID: 19569184
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Accurate calculation of absolute one-electron redox potentials of some para-quinone derivatives in acetonitrile.
    Namazian M; Coote ML
    J Phys Chem A; 2007 Aug; 111(30):7227-32. PubMed ID: 17625811
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Computational study of the deamination of 8-oxoguanine.
    Uddin KM; Poirier RA
    J Phys Chem B; 2011 Jul; 115(29):9151-9. PubMed ID: 21678968
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Electrochemical one-electron oxidation of low-generation polyamidoamine-type dendrimers with a 1,4-phenylenediamine core.
    Hammerich O; Hansen T; Thorvildsen A; Christensen JB
    Chemphyschem; 2009 Aug; 10(11):1805-24. PubMed ID: 19606449
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Quantum chemical computations of 1,3-phenylenediacetic acid.
    Gökce H; Bahçeli S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):803-8. PubMed ID: 21212016
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. Quantum chemical study of solvent and substituent effects on the 1,5-hydride shift in 2,6-dimethyl-2-heptyl cations.
    Vrcek V; Vinkovic Vrcek I; Siehl HU
    J Phys Chem A; 2006 Feb; 110(5):1868-74. PubMed ID: 16451019
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 1,2-dichloro-4-nitrobenzene based on Hartree-Fock and DFT calculations.
    Arivazhagan M; Jeyavijayan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jul; 79(2):376-83. PubMed ID: 21466973
    [TBL] [Abstract][Full Text] [Related]  

  • 17. On the solvation of the Zn2+ ion in methanol: a combined quantum mechanics, molecular dynamics, and EXAFS approach.
    Migliorati V; Chillemi G; D'Angelo P
    Inorg Chem; 2011 Sep; 50(17):8509-15. PubMed ID: 21800865
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Crystal density predictions for nitramines based on quantum chemistry.
    Qiu L; Xiao H; Gong X; Ju X; Zhu W
    J Hazard Mater; 2007 Mar; 141(1):280-8. PubMed ID: 16930828
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Quantitative structure-activity relationship for cyclic imide derivatives of protoporphyrinogen oxidase inhibitors: a study of quantum chemical descriptors from density functional theory.
    Wan J; Zhang L; Yang G; Zhan CG
    J Chem Inf Comput Sci; 2004; 44(6):2099-105. PubMed ID: 15554680
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Block-localized wavefunction (BLW) method at the density functional theory (DFT) level.
    Mo Y; Song L; Lin Y
    J Phys Chem A; 2007 Aug; 111(34):8291-301. PubMed ID: 17655207
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.