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 *

158 related articles for article (PubMed ID: 18618941)

  • 21. Modeling Nitrogen Species as Pollutants: Thermochemical Influences.
    Bugler J; Somers KP; Simmie JM; Güthe F; Curran HJ
    J Phys Chem A; 2016 Sep; 120(36):7192-7. PubMed ID: 27547977
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Structure, thermodynamics, and liquid-vapor equilibrium of ethanol from molecular-dynamics simulations using nonadditive interactions.
    Patel S; Brooks CL
    J Chem Phys; 2005 Oct; 123(16):164502. PubMed ID: 16268707
    [TBL] [Abstract][Full Text] [Related]  

  • 23. 1,2-Dibromoethyl-trichlorosilane (CH2BrCHBrSiCl3): conformational structure and vibrational properties by gas-phase electron diffraction, infrared and Raman spectroscopy, and ab initio molecular orbital and density functional theory calculations.
    Johansen TH; Hassler K; Richardson AD; Tekautz G; Hagen K
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 May; 61(7):1307-19. PubMed ID: 15820864
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Solvation theory to provide a molecular interpretation of the hydrophobic entropy loss of noble-gas hydration.
    Irudayam SJ; Henchman RH
    J Phys Condens Matter; 2010 Jul; 22(28):284108. PubMed ID: 21399280
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Entropy Calculations of Single Molecules by Combining the Rigid-Rotor and Harmonic-Oscillator Approximations with Conformational Entropy Estimations from Molecular Dynamics Simulations.
    Suárez E; Díaz N; Suárez D
    J Chem Theory Comput; 2011 Aug; 7(8):2638-53. PubMed ID: 26606637
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Influence of the solvent representation on vibrational entropy calculations: generalized born versus distance-dependent dielectric model.
    Kopitz H; Cashman DA; Pfeiffer-Marek S; Gohlke H
    J Comput Chem; 2012 Apr; 33(9):1004-13. PubMed ID: 22298332
    [TBL] [Abstract][Full Text] [Related]  

  • 27. A Theoretical Study of Ene Reactions in Solution: A Solution-Phase Translational Entropy Model.
    Zhao L; Li SJ; Fang DC
    Chemphyschem; 2015 Dec; 16(17):3711-8. PubMed ID: 26359578
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Quantum Chemical Study of the Thermochemical Properties of Organophosphorous Compounds.
    Khalfa A; Ferrari M; Fournet R; Sirjean B; Verdier L; Glaude PA
    J Phys Chem A; 2015 Oct; 119(42):10527-39. PubMed ID: 26434606
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Accurate schemes for calculation of thermodynamic properties of liquid mixtures from molecular dynamics simulations.
    Caro MA; Laurila T; Lopez-Acevedo O
    J Chem Phys; 2016 Dec; 145(24):244504. PubMed ID: 28049340
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Calculation of rotational partition functions by an efficient Monte Carlo importance sampling technique.
    Tafipolsky M; Schmid R
    J Comput Chem; 2005 Nov; 26(15):1579-91. PubMed ID: 16145654
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Entropy Landscaping of High-Entropy Carbides.
    Hossain MD; Borman T; Oses C; Esters M; Toher C; Feng L; Kumar A; Fahrenholtz WG; Curtarolo S; Brenner D; LeBeau JM; Maria JP
    Adv Mater; 2021 Oct; 33(42):e2102904. PubMed ID: 34476849
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Reliable predictions of the thermochemistry of boron-nitrogen hydrogen storage compounds: BxNxHy, x = 2, 3.
    Matus MH; Anderson KD; Camaioni DM; Autrey ST; Dixon DA
    J Phys Chem A; 2007 May; 111(20):4411-21. PubMed ID: 17444621
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Signatures of Solvation Thermodynamics in Spectra of Intermolecular Vibrations.
    Persson RAX; Pattni V; Singh A; Kast SM; Heyden M
    J Chem Theory Comput; 2017 Sep; 13(9):4467-4481. PubMed ID: 28783431
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Quantum chemical study of conformational fingerprints in the photoelectron spectra and (e, 2e) electron momentum distributions of n-hexane.
    Morini F; Knippenberg S; Deleuze MS; Hajgató B
    J Phys Chem A; 2010 Apr; 114(12):4400-17. PubMed ID: 20201545
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Comparison of the experimental, semi-experimental and ab initio equilibrium structures of acetylene: influence of relativisitic effects and of the diagonal Born-Oppenheimer corrections.
    Liévin J; Demaison J; Herman M; Fayt A; Puzzarini C
    J Chem Phys; 2011 Feb; 134(6):064119. PubMed ID: 21322673
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Predicting Molecular Crystal Properties from First Principles: Finite-Temperature Thermochemistry to NMR Crystallography.
    Beran GJ; Hartman JD; Heit YN
    Acc Chem Res; 2016 Nov; 49(11):2501-2508. PubMed ID: 27754668
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Guggenheim's rule and the enthalpy of vaporization of simple and polar fluids, molten salts, and room temperature ionic liquids.
    Weiss VC
    J Phys Chem B; 2010 Jul; 114(28):9183-94. PubMed ID: 20572655
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Use of solution-phase vibrational frequencies in continuum models for the free energy of solvation.
    Ribeiro RF; Marenich AV; Cramer CJ; Truhlar DG
    J Phys Chem B; 2011 Dec; 115(49):14556-62. PubMed ID: 21875126
    [TBL] [Abstract][Full Text] [Related]  

  • 39. The entropies of adsorbed molecules.
    Campbell CT; Sellers JR
    J Am Chem Soc; 2012 Oct; 134(43):18109-15. PubMed ID: 23033909
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Robust three-body water simulation model.
    Tainter CJ; Pieniazek PA; Lin YS; Skinner JL
    J Chem Phys; 2011 May; 134(18):184501. PubMed ID: 21568515
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 8.