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 *

145 related articles for article (PubMed ID: 12444776)

  • 1. Assessment of relative stabilities of positional isomers of polyhedral heteronuclear clusters via a simplified method of bond energy calculations based on tight-binding approach and adjacent matrix method: applications to binary icosahedral clusters.
    Teo BK; Strizhev A
    Inorg Chem; 2002 Dec; 41(24):6332-42. PubMed ID: 12444776
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Low-valent group-13 chemistry. Theoretical investigation of the structures and relative stabilities of donor-acceptor complexes R(3)E[bond]E'R' and their isomers R(2)E[bond]E'RR'.
    Timoshkin AY; Frenking G
    J Am Chem Soc; 2002 Jun; 124(24):7240-8. PubMed ID: 12059251
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Binding of propene on small gold clusters and on Au(111): simple rules for binding sites and relative binding energies.
    Chrétien S; Gordon MS; Metiu H
    J Chem Phys; 2004 Aug; 121(8):3756-66. PubMed ID: 15303944
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Stability and Three-Dimensional Aromaticity of closo-Monocarbaborane Anions, CB(n)()(-)(1)H(n)(-), and closo-Dicarboranes, C(2)B(n)()(-)(2)H(n)().
    Schleyer PR; Najafian K
    Inorg Chem; 1998 Jul; 37(14):3454-3470. PubMed ID: 11670428
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Structure of molybdenum and tungsten sulfide M(x)S(y)+ clusters: experiment and DFT calculations.
    Patterson MJ; Lightstone JM; White MG
    J Phys Chem A; 2008 Nov; 112(47):12011-21. PubMed ID: 18980366
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Structures and relative stabilities of ammonia clusters at different temperatures: DFT vs. ab initio.
    Malloum A; Fifen JJ; Dhaouadi Z; Engo SG; Jaidane NE
    Phys Chem Chem Phys; 2015 Nov; 17(43):29226-42. PubMed ID: 26465346
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Icosahedron-fcc transition size by molecular dynamics simulation of Lennard-Jones clusters at a finite temperature.
    Ikeshoji T; Torchet G; de Feraudy MF; Koga K
    Phys Rev E Stat Nonlin Soft Matter Phys; 2001 Mar; 63(3 Pt 1):031101. PubMed ID: 11308624
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Reactivity of chemisorbed oxygen atoms and their catalytic consequences during CH4-O2 catalysis on supported Pt clusters.
    Chin YH; Buda C; Neurock M; Iglesia E
    J Am Chem Soc; 2011 Oct; 133(40):15958-78. PubMed ID: 21919447
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Dinuclear Metal-Mediated Homo Base Pairs with Metallophilic Interactions: Theoretical Studies of G
    Cao GJ
    Sci Rep; 2017 Nov; 7(1):14896. PubMed ID: 29097669
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Low-lying structures and stabilities of large water clusters: investigation based on the combination of the AMOEBA potential and generalized energy-based fragmentation approach.
    Yang Z; Hua S; Hua W; Li S
    J Phys Chem A; 2010 Sep; 114(34):9253-61. PubMed ID: 20669931
    [TBL] [Abstract][Full Text] [Related]  

  • 11. A structure-based analysis of the vibrational spectra of nitrosyl ligands in transition-metal coordination complexes and clusters.
    De La Cruz C; Sheppard N
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jan; 78(1):7-28. PubMed ID: 21123107
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Accounting for the differences in the structures and relative energies of the highly homoatomic np pi-np pi (n > or = 3)-bonded S2I4 2+, the Se-I pi-bonded Se2I4 2+, and their higher-energy isomers by AIM, MO, NBO, and VB methodologies.
    Brownridge S; Crawford MJ; Du H; Harcourt RD; Knapp C; Laitinen RS; Passmore J; Rautiainen JM; Suontamo RJ; Valkonen J
    Inorg Chem; 2007 Feb; 46(3):681-99. PubMed ID: 17257010
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Structure, stability, and cluster-cage interactions in nitride clusterfullerenes M3N@C2n (M = Sc, Y; 2n = 68-98): a density functional theory study.
    Popov AA; Dunsch L
    J Am Chem Soc; 2007 Sep; 129(38):11835-49. PubMed ID: 17760444
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Ab initio calculation of bowl, cage, and ring isomers of C20 and C20-.
    An W; Gao Y; Bulusu S; Zeng XC
    J Chem Phys; 2005 May; 122(20):204109. PubMed ID: 15945715
    [TBL] [Abstract][Full Text] [Related]  

  • 15. DFT study on the stabilities of the heterofullerenes Sc3N@C67B, Sc3N@C67N, and Sc3N@C66BN.
    Hou JQ; Kang HS
    J Phys Chem A; 2007 Feb; 111(6):1111-6. PubMed ID: 17253661
    [TBL] [Abstract][Full Text] [Related]  

  • 16. A theoretical study of the structures, energetics, stabilities, reactivities, and out-of-plane distortive tendencies of skeletally substituted benzenes (CH)(5)XH and (CH)(4)(XH)(2) (X = B(-), N(+), Al(-), Si, P(+), Ga(-), Ge, and As(+)).
    Priyakumar UD; Sastry GN
    J Org Chem; 2002 Jan; 67(1):271-81. PubMed ID: 11777471
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Geometries, stabilities, and electronic properties of small anion Mg-doped gold clusters: a density functional theory study.
    Li YF; Kuang XY; Wang SJ; Zhao YR
    J Phys Chem A; 2010 Nov; 114(43):11691-8. PubMed ID: 20936875
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Kinetic versus thermodynamic isomers of the deltahedral cobaltadicarbaboranes.
    King RB; Silaghi-Dumitrescu I; Sovago I
    Inorg Chem; 2009 Jun; 48(12):5088-95. PubMed ID: 19435335
    [TBL] [Abstract][Full Text] [Related]  

  • 19. An insight into the structures, stabilities, and bond character of B(n)Pt (n=1∼6) clusters.
    Yang G; Cui W; Zhu X; Yue R
    J Mol Model; 2014 Nov; 20(11):2482. PubMed ID: 25316344
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Structural transition from icosahedra to decahedra of large Lennard-Jones clusters.
    Shao X; Xiang Y; Cai W
    J Phys Chem A; 2005 Jun; 109(23):5193-7. PubMed ID: 16833875
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.