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 *

142 related articles for article (PubMed ID: 16965070)

  • 21. Testing the TPSS meta-generalized-gradient-approximation exchange-correlation functional in calculations of transition states and reaction barriers.
    Kanai Y; Wang X; Selloni A; Car R
    J Chem Phys; 2006 Dec; 125(23):234104. PubMed ID: 17190544
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Atomic and electronic structures of neutral and charged Pbn clusters (n=2-15): theoretical investigation based on density functional theory.
    Rajesh C; Majumder C
    J Chem Phys; 2007 Jun; 126(24):244704. PubMed ID: 17614574
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Interaction of porphine and its metal complexes with C60 fullerene: a DFT study.
    Basiuk VA
    J Phys Chem A; 2005 Apr; 109(16):3704-10. PubMed ID: 16839037
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Structural and electronic properties of polyacetylene and polyyne from hybrid and Coulomb-attenuated density functionals.
    Peach MJ; Tellgren EI; Sałek P; Helgaker T; Tozer DJ
    J Phys Chem A; 2007 Nov; 111(46):11930-5. PubMed ID: 17963369
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Computational strategies for reactions of aggregated and solvated organolithium carbenoids.
    Ramachandran B; Kharidehal P; Pratt LM; Voit S; Okeke FN; Ewan M
    J Phys Chem A; 2010 Aug; 114(32):8423-33. PubMed ID: 20666488
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Calibration of modern density functional theory methods for the prediction of 57Fe Mössbauer isomer shifts: meta-GGA and double-hybrid functionals.
    Römelt M; Ye S; Neese F
    Inorg Chem; 2009 Feb; 48(3):784-5. PubMed ID: 19102678
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Performance of a nonempirical meta-generalized gradient approximation density functional for excitation energies.
    Tao J; Tretiak S; Zhu JX
    J Chem Phys; 2008 Feb; 128(8):084110. PubMed ID: 18315036
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Exohedral silicon fullerenes: SiNPtN/2 (20Pei Y; Gao Y; Zeng XC
    J Chem Phys; 2007 Jul; 127(4):044704. PubMed ID: 17672714
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Calculation of the first static hyperpolarizability tensor of three-dimensional periodic compounds with a local basis set: A comparison of LDA, PBE, PBE0, B3LYP, and HF results.
    Orlando R; Lacivita V; Bast R; Ruud K
    J Chem Phys; 2010 Jun; 132(24):244106. PubMed ID: 20590180
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Theoretical prediction of atomic and electronic structure of neutral Si6O(m) (m = 1-11) clusters.
    Caputo MC; Oña O; Ferraro MB
    J Chem Phys; 2009 Apr; 130(13):134115. PubMed ID: 19355725
    [TBL] [Abstract][Full Text] [Related]  

  • 31. A combined semiempirical-DFT study of oligomers within the finite-chain approximation, evolution from oligomers to polymers.
    Derosa PA
    J Comput Chem; 2009 Jun; 30(8):1220-8. PubMed ID: 18988233
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Description of core excitations by time-dependent density functional theory with local density approximation, generalized gradient approximation, meta-generalized gradient approximation, and hybrid functionals.
    Imamura Y; Otsuka T; Nakai H
    J Comput Chem; 2007 Sep; 28(12):2067-74. PubMed ID: 17436256
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Assessment of density functional theory optimized basis sets for gradient corrected functionals to transition metal systems: the case of small Nin (nLópez Arvizu G; Calaminici P
    J Chem Phys; 2007 May; 126(19):194102. PubMed ID: 17523793
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Structures and relative stability of medium-sized silicon clusters. V. Low-lying endohedral fullerenelike clusters Si31-Si40 and Si45.
    Yoo S; Shao N; Koehler C; Fraunhaum T; Zeng XC
    J Chem Phys; 2006 Apr; 124(16):164311. PubMed ID: 16674139
    [TBL] [Abstract][Full Text] [Related]  

  • 35. First principles LDA + U and GGA + U study of protactinium and protactinium oxides: dependence on the effective U parameter.
    Obodo KO; Chetty N
    J Phys Condens Matter; 2013 Apr; 25(14):145603. PubMed ID: 23478314
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Ab initio description of photoabsorption and electron transfer in a doubly-linked porphyrin-fullerene dyad.
    Cramariuc O; Hukka TI; Rantala TT; Lemmetyinen H
    J Comput Chem; 2009 Jun; 30(8):1194-201. PubMed ID: 18988251
    [TBL] [Abstract][Full Text] [Related]  

  • 37. C68 fullerene isomers, anions, and their metallofullerenes: charge-stabilizing different isomers.
    Chen DL; Tian WQ; Feng JK; Sun CC
    Chemphyschem; 2008 Feb; 9(3):454-61. PubMed ID: 18232051
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Theoretical studies of the substitution patterns of boron-nitrogen (BN) fullerenes: from C50 up to C20B15N15 CBN ball.
    Xu X; Shang Z; Wang G; Li R; Cai Z; Zhao X
    J Phys Chem A; 2005 Apr; 109(16):3754-61. PubMed ID: 16839044
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Influence of electron doping on the hydrogenation of fullerene C60 : a theoretical investigation.
    Dral PO; Shubina TE; Hirsch A; Clark T
    Chemphyschem; 2011 Oct; 12(14):2581-9. PubMed ID: 21882335
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Structure and stability of the (001) alpha-quartz surface.
    Goumans TP; Wander A; Brown WA; Catlow CR
    Phys Chem Chem Phys; 2007 May; 9(17):2146-52. PubMed ID: 17464397
    [TBL] [Abstract][Full Text] [Related]  

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