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 *

146 related articles for article (PubMed ID: 22578173)

  • 21. A two-state computational investigation of methane C--H and ethane C--C oxidative addition to [CpM(PH3)]n+ (M = Co, Rh, Ir; n = 0, 1).
    Petit A; Richard P; Cacelli I; Poli R
    Chemistry; 2006 Jan; 12(3):813-23. PubMed ID: 16331716
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Quantum chemical study of trimolecular reaction mechanism between nitric oxide and oxygen in the gas phase.
    Gadzhiev OB; Ignatov SK; Razuvaev AG; Masunov AE
    J Phys Chem A; 2009 Aug; 113(32):9092-101. PubMed ID: 19610649
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Computational investigation of the conrotatory and disrotatory isomerization channels of bicyclo[1.1.0]butane to buta-1,3-diene: a completely renormalized coupled-cluster study.
    Kinal A; Piecuch P
    J Phys Chem A; 2007 Feb; 111(4):734-42. PubMed ID: 17249766
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Experimental and theoretical examination of C-CN and C-H bond activations of acetonitrile using zerovalent nickel.
    Ateşin TA; Li T; Lachaize S; Brennessel WW; García JJ; Jones WD
    J Am Chem Soc; 2007 Jun; 129(24):7562-9. PubMed ID: 17521188
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Does the MgO(100)-support facilitate the reaction of nitrogen and hydrogen molecules catalyzed by Zr2Pd2 clusters? A computational study.
    Kuznetsov AE; Musaev DG
    Inorg Chem; 2010 Mar; 49(5):2557-67. PubMed ID: 20128599
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Intersystem crossings of the triplet and singlet States in cobalt and copper mononitrosyls.
    Uzunova EL
    J Phys Chem A; 2009 Oct; 113(42):11266-72. PubMed ID: 19788202
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Why [(eta5-C5Me(n)H5-n)2Ti]2(micro2,eta2,eta2-N2) can not add a H2 molecule to the side-on-coordinated N2 while its Zr and Hf analogues can? insights from computational studies.
    Musaev DG; Bobadova-Parvanova P; Morokuma K
    Inorg Chem; 2007 Apr; 46(7):2709-15. PubMed ID: 17341066
    [TBL] [Abstract][Full Text] [Related]  

  • 28. CH4 activation by W atom in the gas phase: a case of two-state reactivity process.
    Wang Y; Wang Q; Geng Z; Lv L; Si Y; Wang Q; Liu H; Cui D
    J Phys Chem A; 2009 Dec; 113(49):13808-15. PubMed ID: 19860463
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Singlet and triplet potential surfaces for the O2+C2H4 reaction.
    Park K; West A; Raheja E; Sellner B; Lischka H; Windus TL; Hase WL
    J Chem Phys; 2010 Nov; 133(18):184306. PubMed ID: 21073222
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Variational fractional-spin density-functional theory for diradicals.
    Peng D; Hu X; Devarajan D; Ess DH; Johnson ER; Yang W
    J Chem Phys; 2012 Sep; 137(11):114112. PubMed ID: 22998254
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Theoretical study of the mechanism of hydrogenation of side-on coordinated dinitrogen activated by Zr binuclear complexes ([(eta5-C5Me4H)2Zr]2(mu2,eta2,eta2-N2)).
    Miyachi H; Shigeta Y; Hirao K
    J Phys Chem A; 2005 Oct; 109(39):8800-8. PubMed ID: 16834283
    [TBL] [Abstract][Full Text] [Related]  

  • 32. DFT study of the geometry and energy order of the low singlet and triplet states of [d4-eta5-CpMo(CO)2X] 16-electron complexes (X = halogen, CN, H, and CH3).
    Hasanayn F; Markarian MZ; Al-Rifai R
    Inorg Chem; 2004 Jun; 43(12):3691-6. PubMed ID: 15180424
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Unrestricted prescriptions for open-shell singlet diradicals: using economical ab initio and density functional theory to calculate singlet-triplet gaps and bond dissociation curves.
    Ess DH; Cook TC
    J Phys Chem A; 2012 May; 116(20):4922-9. PubMed ID: 22578025
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Active sites of stoichiometric cerium oxide cations (CemO2m+) probed by reactions with carbon monoxide and small hydrocarbon molecules.
    Wu XN; Zhao YX; Xue W; Wang ZC; He SG; Ding XL
    Phys Chem Chem Phys; 2010 Apr; 12(16):3984-97. PubMed ID: 20379490
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Zirconium bis(indenyl) sandwich complexes with an unprecedented indenyl coordination mode and their role in the reactivity of the parent bent-metallocenes: a detailed DFT mechanistic study.
    Veiros LF
    Chemistry; 2005 Apr; 11(8):2505-18. PubMed ID: 15729683
    [TBL] [Abstract][Full Text] [Related]  

  • 36. C-H vs C-C bond activation of acetonitrile and benzonitrile via oxidative addition: rhodium vs nickel and Cp* vs Tp' (Tp' = hydrotris(3,5-dimethylpyrazol-1-yl)borate, Cp* = η(5)-pentamethylcyclopentadienyl).
    Evans ME; Li T; Jones WD
    J Am Chem Soc; 2010 Nov; 132(45):16278-84. PubMed ID: 20968287
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Comparison of electronic structures and light-induced excited spin state trapping between [Fe(2-picolylamine)(3)](2+) and its iron(III) analogue.
    Ando H; Nakao Y; Sato H; Sakaki S
    Dalton Trans; 2010 Feb; 39(7):1836-45. PubMed ID: 20449430
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Tetrahydrides of third-row transition elements: spin-orbit coupling effects on the stability of rhenium tetrahydride.
    Koseki S; Hisashima TA; Asada T; Toyota A; Matsunaga N
    J Chem Phys; 2010 Nov; 133(17):174112. PubMed ID: 21054011
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Triplet pathways in diarylethene photochromism: photophysical and computational study of dyads containing ruthenium(II) polypyridine and 1,2-bis(2-methylbenzothiophene-3-yl)maleimide units.
    Indelli MT; Carli S; Ghirotti M; Chiorboli C; Ravaglia M; Garavelli M; Scandola F
    J Am Chem Soc; 2008 Jun; 130(23):7286-99. PubMed ID: 18479107
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Potential energy surfaces for rearrangements of Berson trimethylenemethanes.
    Bozkaya U; Ozkan I
    J Phys Chem A; 2012 Mar; 116(9):2309-21. PubMed ID: 22316430
    [TBL] [Abstract][Full Text] [Related]  

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