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 *

136 related articles for article (PubMed ID: 26371996)

  • 21. A DFT and ab initio benchmarking study of metal-alkane interactions and the activation of carbon-hydrogen bonds.
    Flener-Lovitt C; Woon DE; Dunning TH; Girolami GS
    J Phys Chem A; 2010 Feb; 114(4):1843-51. PubMed ID: 20043689
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Bonding Conundrums in the C2 Molecule: A Valence Bond Study.
    Su P; Wu J; Gu J; Wu W; Shaik S; Hiberty PC
    J Chem Theory Comput; 2011 Jan; 7(1):121-30. PubMed ID: 26606225
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Correlated ab initio investigations on the intermolecular and intramolecular potential energy surfaces in the ground electronic state of the O2(-)(X2Πg)-HF(X1Σ+) complex.
    Fawzy WM; Elsayed M; Zhang Y
    J Chem Phys; 2013 Jan; 138(1):014304. PubMed ID: 23298038
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Role of the 3(ππ*) state in photolysis of lumisantonin: insight from ab initio studies.
    Chen X; Rinkevicius Z; Luo Y; Ågren H; Cao Z
    J Phys Chem A; 2011 Jul; 115(26):7815-22. PubMed ID: 21627307
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Is this a chemical bond? A theoretical study of Ng2@C60 (Ng=He, Ne, Ar, Kr, Xe).
    Krapp A; Frenking G
    Chemistry; 2007; 13(29):8256-70. PubMed ID: 17639524
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Ab Initio Treatment of Bond-Breaking Reactions: Accurate Course of HO3 Dissociation and Revisit to Isomerization.
    Varandas AJ
    J Chem Theory Comput; 2012 Feb; 8(2):428-41. PubMed ID: 26596594
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Exploring excited-state hydrogen atom transfer along an ammonia wire cluster: competitive reaction paths and vibrational mode selectivity.
    Tanner C; Manca C; Leutwyler S
    J Chem Phys; 2005 May; 122(20):204326. PubMed ID: 15945743
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Photophysics of organic photostabilizers. Ab initio study of the excited-state deactivation mechanisms of 2-(2'-hydroxyphenyl)benzotriazole.
    Sobolewski AL; Domcke W; Hättig C
    J Phys Chem A; 2006 May; 110(19):6301-6. PubMed ID: 16686466
    [TBL] [Abstract][Full Text] [Related]  

  • 29. A Barrier-Free Atomic Radical-Molecule Reaction:  F + Propene.
    Li JL; Geng CY; Huang XR; Sun CC
    J Chem Theory Comput; 2006 Nov; 2(6):1551-64. PubMed ID: 26627026
    [TBL] [Abstract][Full Text] [Related]  

  • 30. A new look at the ylidic bond in phosphorus ylides and related compounds: energy decomposition analysis combined with a domain-averaged fermi hole analysis.
    Calhorda MJ; Krapp A; Frenking G
    J Phys Chem A; 2007 Apr; 111(15):2859-69. PubMed ID: 17388399
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Potential energy surface and unimolecular dynamics of stretched n-butane.
    Lourderaj U; McAfee JL; Hase WL
    J Chem Phys; 2008 Sep; 129(9):094701. PubMed ID: 19044880
    [TBL] [Abstract][Full Text] [Related]  

  • 32. The nature of the chemical bond revisited: an energy-partitioning analysis of nonpolar bonds.
    Kovács A; Esterhuysen C; Frenking G
    Chemistry; 2005 Mar; 11(6):1813-25. PubMed ID: 15672434
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Why is Si
    Guidez EB; Gordon MS; Ruedenberg K
    J Am Chem Soc; 2020 Aug; 142(32):13729-13742. PubMed ID: 32662651
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Finding reaction paths using the potential energy as reaction coordinate.
    Aguilar-Mogas A; Giménez X; Bofill JM
    J Chem Phys; 2008 Mar; 128(10):104102. PubMed ID: 18345872
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Femtochemistry of Norrish type-I reactions: III. Highly excited ketones--theoretical.
    Diau EW; Kötting C; Sølling TI; Zewail AH
    Chemphyschem; 2002 Jan; 3(1):57-78. PubMed ID: 12465477
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Predissociation via conformational change: photodissociation of N,N-dimethylnitrosamine in the S(1) state.
    Nonella M; Suter HU; Huber JR
    J Phys Chem A; 2010 Dec; 114(50):13011-5. PubMed ID: 21090731
    [TBL] [Abstract][Full Text] [Related]  

  • 37. 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]  

  • 38. Relativistic ab Initio Accurate Atomic Minimal Basis Sets: Quantitative LUMOs and Oriented Quasi-Atomic Orbitals for the Elements Li-Xe.
    Schoendorff G; West AC; Schmidt MW; Ruedenberg K; Wilson AK; Gordon MS
    J Phys Chem A; 2017 May; 121(18):3588-3597. PubMed ID: 28406302
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Nature of the chemical bond and origin of the inverted dipole moment in boron fluoride: a generalized valence bond approach.
    Fantuzzi F; Cardozo TM; Nascimento MA
    J Phys Chem A; 2015 May; 119(21):5335-43. PubMed ID: 25531385
    [TBL] [Abstract][Full Text] [Related]  

  • 40. The photochemistry of formaldehyde: internal conversion and molecular dissociation in a single step?
    Araujo M; Lasorne B; Bearpark MJ; Robb MA
    J Phys Chem A; 2008 Aug; 112(33):7489-91. PubMed ID: 18652435
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 7.