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 *

108 related articles for article (PubMed ID: 21322542)

  • 1. Influence of the solvent on the charge distribution of anomeric compounds.
    Vila A; Estévez L; Mosquera RA
    J Phys Chem A; 2011 Mar; 115(10):1964-70. PubMed ID: 21322542
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Interpretation of anomeric effect in the N-C-N unit with the quantum theory of atoms in molecules.
    Eskandari K; Vila A; Mosquera RA
    J Phys Chem A; 2007 Aug; 111(34):8491-9. PubMed ID: 17685599
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Atoms in molecules interpretation of the anomeric effect in the O--C--O unit.
    Vila A; Mosquera RA
    J Comput Chem; 2007 Jul; 28(9):1516-1530. PubMed ID: 17330885
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Probing the influence of solvent effects on the conformational behavior of 1,3-diazacyclohexane systems.
    Singh A; Ganguly B
    J Phys Chem A; 2007 Oct; 111(39):9884-9. PubMed ID: 17850052
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Solvent effects on global reactivity properties for neutral and charged systems using the sequential Monte Carlo quantum mechanics model.
    Jaramillo P; Pérez P; Fuentealba P; Canuto S; Coutinho K
    J Phys Chem B; 2009 Apr; 113(13):4314-22. PubMed ID: 19320524
    [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. Electronic g-tensors of solvated molecules using the polarizable continuum model.
    Rinkevicius Z; Telyatnyk L; Vahtras O; Ruud K
    J Chem Phys; 2004 Sep; 121(11):5051-60. PubMed ID: 15352795
    [TBL] [Abstract][Full Text] [Related]  

  • 8. A density functional theory study on pelargonidin.
    Estévez L; Mosquera RA
    J Phys Chem A; 2007 Nov; 111(43):11100-9. PubMed ID: 17929785
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Theoretical study of the effects of solvation, substitution, and structure on the properties of imidazolines, oxazolines, and thiazolines.
    Abdalla S; Springborg M
    J Phys Chem A; 2010 May; 114(18):5823-9. PubMed ID: 20405891
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Conformational and substitution effects on the electron distribution in a series of anthocyanidins.
    Estévez L; Mosquera RA
    J Phys Chem A; 2009 Sep; 113(36):9908-19. PubMed ID: 19685919
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Solvent dependence on conformational transition, dipole moment, and molecular geometry of 1,2-dichloroethane: insight from Car-Parrinello molecular dynamics calculations.
    Murugan NA; Hugosson HW; Agren H
    J Phys Chem B; 2008 Nov; 112(47):14673-7. PubMed ID: 18959438
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Impact of the solvent on the conformational isomerism of calix[4]arenes: a study based on continuum solvation models.
    Alemán C; Den Otter WK; Tolpekina TV; Briels WJ
    J Org Chem; 2004 Feb; 69(3):951-8. PubMed ID: 14750827
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Importance of polarization in quantum mechanics/molecular mechanics descriptions of electronic excited states: NaI(H2O)n photodissociation dynamics as a case study.
    Koch DM; Peslherbe GH
    J Phys Chem B; 2008 Jan; 112(2):636-49. PubMed ID: 18183959
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Solvation effects on alanine dipeptide: A MP2/cc-pVTZ//MP2/6-31G** study of (Phi, Psi) energy maps and conformers in the gas phase, ether, and water.
    Wang ZX; Duan Y
    J Comput Chem; 2004 Nov; 25(14):1699-716. PubMed ID: 15362127
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Conformational analysis of cis-2-halocyclohexanols; solvent effects by NMR and theoretical calculations.
    Basso EA; Abiko LA; Gauze GF; Pontes RM
    J Org Chem; 2011 Jan; 76(1):145-53. PubMed ID: 21121596
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Matrix-isolation study and ab initio calculations of the structure and spectra of hydroxyacetone.
    Sharma A; Reva I; Fausto R
    J Phys Chem A; 2008 Jul; 112(26):5935-46. PubMed ID: 18537231
    [TBL] [Abstract][Full Text] [Related]  

  • 17. How the generalized anomeric effect influences the conformational preference.
    Wang C; Chen Z; Wu W; Mo Y
    Chemistry; 2013 Jan; 19(4):1436-44. PubMed ID: 23225166
    [TBL] [Abstract][Full Text] [Related]  

  • 18. The roles of electronic exchange and correlation in charge-transfer- to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase.
    Glover WJ; Larsen RE; Schwartz BJ
    J Chem Phys; 2008 Oct; 129(16):164505. PubMed ID: 19045282
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Influence of solvent polarity and hydrogen bonding on the electronic transition of coumarin 120: a TDDFT study.
    Zhao W; Pan L; Bian W; Wang J
    Chemphyschem; 2008 Aug; 9(11):1593-602. PubMed ID: 18615417
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Modeling the structure and absorption spectra of stilbazolium merocyanine in polar and nonpolar solvents using hybrid QM/MM techniques.
    Murugan NA; Kongsted J; Rinkevicius Z; Aidas K; Ågren H
    J Phys Chem B; 2010 Oct; 114(42):13349-57. PubMed ID: 20925401
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.