BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

136 related articles for article (PubMed ID: 21387333)

  • 1. Energy partitioning scheme based on self-consistent method for subsystems: populational space approach.
    De Silva P; Korchowiec J
    J Comput Chem; 2011 Apr; 32(6):1054-64. PubMed ID: 21387333
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Accurate frozen-density embedding potentials as a first step towards a subsystem description of covalent bonds.
    Fux S; Jacob CR; Neugebauer J; Visscher L; Reiher M
    J Chem Phys; 2010 Apr; 132(16):164101. PubMed ID: 20441252
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Bonding in ammonia borane: an analysis based on the natural orbitals for chemical valence and the extended transition state method (ETS-NOCV).
    Mitoraj MP
    J Phys Chem A; 2011 Dec; 115(51):14708-16. PubMed ID: 22085293
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Unravelling the origin of intermolecular interactions using absolutely localized molecular orbitals.
    Khaliullin RZ; Cobar EA; Lochan RC; Bell AT; Head-Gordon M
    J Phys Chem A; 2007 Sep; 111(36):8753-65. PubMed ID: 17655284
    [TBL] [Abstract][Full Text] [Related]  

  • 5. The catalytic dehydrogenation of ammonia-borane involving an unexpected hydrogen transfer to ligated carbene and subsequent carbon-hydrogen activation.
    Yang X; Hall MB
    J Am Chem Soc; 2008 Feb; 130(6):1798-9. PubMed ID: 18211066
    [No Abstract]   [Full Text] [Related]  

  • 6. Structural and dynamical properties of solid ammonia borane under high pressure.
    Wang L; Bao K; Meng X; Wang X; Jiang T; Cui T; Liu B; Zou G
    J Chem Phys; 2011 Jan; 134(2):024517. PubMed ID: 21241130
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Dissociation energy of the water dimer from quantum Monte Carlo calculations.
    Gurtubay IG; Needs RJ
    J Chem Phys; 2007 Sep; 127(12):124306. PubMed ID: 17902902
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Pseudo-Jahn-Teller origin of the low barrier hydrogen bond in N(2)H(7) (+).
    García-Fernández P; García-Canales L; García-Lastra JM; Junquera J; Moreno M; Aramburu JA
    J Chem Phys; 2008 Sep; 129(12):124313. PubMed ID: 19045029
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Density-based energy decomposition analysis for intermolecular interactions with variationally determined intermediate state energies.
    Wu Q; Ayers PW; Zhang Y
    J Chem Phys; 2009 Oct; 131(16):164112. PubMed ID: 19894932
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Ammonia-water cation and ammonia dimer cation.
    Kim H; Lee HM
    J Phys Chem A; 2009 Jun; 113(25):6859-64. PubMed ID: 19534557
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Reaction of a P/Al-based frustrated Lewis pair with ammonia, borane, and amine-boranes: adduct formation and catalytic dehydrogenation.
    Appelt C; Slootweg JC; Lammertsma K; Uhl W
    Angew Chem Int Ed Engl; 2013 Apr; 52(15):4256-9. PubMed ID: 23471587
    [No Abstract]   [Full Text] [Related]  

  • 12. Hydrolysis of ammonia borane as a hydrogen source: fundamental issues and potential solutions towards implementation.
    Sanyal U; Demirci UB; Jagirdar BR; Miele P
    ChemSusChem; 2011 Dec; 4(12):1731-9. PubMed ID: 22069163
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Simultaneous two-hydrogen transfer as a mechanism for efficient CO(2) reduction.
    Zimmerman PM; Zhang Z; Musgrave CB
    Inorg Chem; 2010 Oct; 49(19):8724-8. PubMed ID: 20804148
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Transition-density-fragment interaction combined with transfer integral approach for excitation-energy transfer via charge-transfer states.
    Fujimoto KJ
    J Chem Phys; 2012 Jul; 137(3):034101. PubMed ID: 22830677
    [TBL] [Abstract][Full Text] [Related]  

  • 15. The effect of the NH2 substituent on NH3: hydrazine as an alternative for ammonia in hydrogen release in the presence of boranes and alanes.
    Vinh-Son N; Swinnen S; Matus MH; Nguyen MT; Dixon DA
    Phys Chem Chem Phys; 2009 Aug; 11(30):6339-44. PubMed ID: 19809664
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Localized orbital theory and ammonia triborane.
    Subotnik JE; Sodt A; Head-Gordon M
    Phys Chem Chem Phys; 2007 Nov; 9(41):5522-30. PubMed ID: 17957308
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water-dimer III: Mixed Jacobi-valence parametrization and benchmark results for the zero point energy, vibrationally excited states, and infrared spectrum.
    Vendrell O; Brill M; Gatti F; Lauvergnat D; Meyer HD
    J Chem Phys; 2009 Jun; 130(23):234305. PubMed ID: 19548725
    [TBL] [Abstract][Full Text] [Related]  

  • 18. A non-perturbative pairwise-additive analysis of charge transfer contributions to intermolecular interaction energies.
    Veccham SP; Lee J; Mao Y; Horn PR; Head-Gordon M
    Phys Chem Chem Phys; 2021 Jan; 23(2):928-943. PubMed ID: 33355325
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Spectroscopically determined force field for water dimer: physically enhanced treatment of hydrogen bonding in molecular mechanics energy functions.
    Mannfors B; Palmo K; Krimm S
    J Phys Chem A; 2008 Dec; 112(49):12667-78. PubMed ID: 19012387
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts.
    Mebs S; Grabowsky S; Förster D; Kickbusch R; Hartl M; Daemen LL; Morgenroth W; Luger P; Paulus B; Lentz D
    J Phys Chem A; 2010 Sep; 114(37):10185-96. PubMed ID: 20726618
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.