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 *

285 related articles for article (PubMed ID: 18778041)

  • 21. Extra electron in (H2O)24- cluster isomers: a theoretical study.
    Khan A
    J Chem Phys; 2004 Jul; 121(1):280-4. PubMed ID: 15260546
    [TBL] [Abstract][Full Text] [Related]  

  • 22. A new nonsymmetric as (OH)3 species. Comparison with the known C3 species and themochemistry at the HF, DFT(B3LYP), MP2, MP4, and CCSD(T) levels of theory.
    Ramírez-Solís A; Hernandez-Cobos J; Vargas C
    J Phys Chem A; 2006 Jun; 110(24):7637-41. PubMed ID: 16774208
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Coupled-cluster and explicitly correlated perturbation-theory calculations of the uracil anion.
    Bachorz RA; Klopper W; Gutowski M
    J Chem Phys; 2007 Feb; 126(8):085101. PubMed ID: 17343472
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Assessment of multicoefficient correlation methods, second-order Møller-Plesset perturbation theory, and density functional theory for H3O(+)(H2O)n (n = 1-5) and OH(-)(H2O)n (n = 1-4).
    Dahlke EE; Orthmeyer MA; Truhlar DG
    J Phys Chem B; 2008 Feb; 112(8):2372-81. PubMed ID: 18247594
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Thermochemistry and electronic structure of small boron and boron oxide clusters and their anions.
    Nguyen MT; Matus MH; Ngan VT; Grant DJ; Dixon DA
    J Phys Chem A; 2009 Apr; 113(17):4895-909. PubMed ID: 19331375
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Accurate interaction energies at density functional theory level by means of an efficient dispersion correction.
    Krishtal A; Vanommeslaeghe K; Olasz A; Veszprémi T; Van Alsenoy C; Geerlings P
    J Chem Phys; 2009 May; 130(17):174101. PubMed ID: 19425763
    [TBL] [Abstract][Full Text] [Related]  

  • 27. On the importance of electron correlation effects for the intramolecular stacking geometry of a bis-thiophene derivative.
    Pluhácková K; Grimme S; Hobza P
    J Phys Chem A; 2008 Dec; 112(48):12469-74. PubMed ID: 18998658
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Coupled-cluster, Möller Plesset (MP2), density fitted local MP2, and density functional theory examination of the energetic and structural features of hydrophobic solvation: water and pentane.
    Ghadar Y; Clark AE
    J Chem Phys; 2012 Feb; 136(5):054305. PubMed ID: 22320740
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Model potential approaches for describing the interaction of excess electrons with water clusters: incorporation of long-range correlation effects.
    Sommerfeld T; DeFusco A; Jordan KD
    J Phys Chem A; 2008 Nov; 112(44):11021-35. PubMed ID: 18959395
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Molecular potential energies in dodecahedron cell of methane hydrate and dispersion correction for DFT.
    Du QS; Li DP; Liu PJ; Huang RB
    J Mol Graph Model; 2008 Sep; 27(2):140-6. PubMed ID: 18485767
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Coupled-cluster theory based upon the fragment molecular-orbital method.
    Fedorov DG; Kitaura K
    J Chem Phys; 2005 Oct; 123(13):134103. PubMed ID: 16223271
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Binding energies of hydrogen-bonded complexes from extrapolation with localized basis sets.
    Lee JS
    J Chem Phys; 2007 Aug; 127(8):085104. PubMed ID: 17764303
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Theoretical evidence of barrier-free proton transfer in 7-azaindole-water cluster anions.
    Chen HY; Young PY; Hsu SC
    J Chem Phys; 2009 Apr; 130(16):165101. PubMed ID: 19405633
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Determining the energy gap between the cis and trans isomers of HO3- using geometry optimization within the anti-Hermitian contracted Schrödinger and coupled cluster methods.
    Mazziotti DA
    J Phys Chem A; 2007 Dec; 111(49):12635-40. PubMed ID: 17997537
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Applicability of hybrid density functional theory methods to calculation of molecular hyperpolarizability.
    Suponitsky KY; Tafur S; Masunov AE
    J Chem Phys; 2008 Jul; 129(4):044109. PubMed ID: 18681636
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Slater-type geminals in explicitly-correlated perturbation theory: application to n-alkanols and analysis of errors and basis-set requirements.
    Höfener S; Bischoff FA; Glöss A; Klopper W
    Phys Chem Chem Phys; 2008 Jun; 10(23):3390-9. PubMed ID: 18535722
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Multicoefficient density functional theory (MC-DFT).
    Chen JL; Sun YL; Wu KJ; Hu WP
    J Phys Chem A; 2008 Feb; 112(5):1064-70. PubMed ID: 18197641
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Density functional theory and the correlation consistent basis sets: the tight d effect on HSO and HOS.
    Wang NX; Wilson AK
    J Phys Chem A; 2005 Aug; 109(32):7187-96. PubMed ID: 16834083
    [TBL] [Abstract][Full Text] [Related]  

  • 39. New accurate benchmark energies for large water clusters: DFT is better than expected.
    Anacker T; Friedrich J
    J Comput Chem; 2014 Mar; 35(8):634-43. PubMed ID: 24482156
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections.
    Chai JD; Head-Gordon M
    Phys Chem Chem Phys; 2008 Nov; 10(44):6615-20. PubMed ID: 18989472
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 15.