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 *

134 related articles for article (PubMed ID: 26620330)

  • 1. Structures, Bonding, and One-Bond B-N and B-H Spin-Spin Coupling Constants for a Series of Neutral and Anionic Five-Membered Rings Containing BN Bonds.
    Yáñez M; Mó O; Alkorta I; Del Bene JE
    J Chem Theory Comput; 2008 Nov; 4(11):1869-76. PubMed ID: 26620330
    [TBL] [Abstract][Full Text] [Related]  

  • 2. A Systematic Comparison of Second-Order Polarization Propagator Approximation (SOPPA) and Equation-of-Motion Coupled Cluster Singles and Doubles (EOM-CCSD) Spin-Spin Coupling Constants for Selected Singly Bonded Molecules, and the Hydrides NH3, H2O, and HF and Their Protonated and Deprotonated Ions and Hydrogen-Bonded Complexes.
    Del Bene JE; Alkorta I; Elguero J
    J Chem Theory Comput; 2008 Jun; 4(6):967-73. PubMed ID: 26621237
    [TBL] [Abstract][Full Text] [Related]  

  • 3. An ab initio study of 15N-11B spin-spin coupling constants for borazine and selected derivatives.
    Del Bene JE; Elguero J; Alkorta I; Yañez M; Mó O
    J Phys Chem A; 2006 Aug; 110(32):9959-66. PubMed ID: 16898700
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A systematic comparison of second-order polarization propagator approximation and equation-of-motion coupled cluster singles and doubles C-C, C-N, N-N, C-H, and N-H spin-spin coupling constants.
    Del Bene JE; Alkorta I; Elguero J
    J Phys Chem A; 2009 Nov; 113(45):12411-20. PubMed ID: 19462958
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Systematic Comparison of Second-Order Polarization Propagator Approximation (SOPPA) and Equation-of-Motion Coupled Cluster Singles and Doubles (EOM-CCSD) Spin-Spin Coupling Constants for Molecules with C, N, and O Double and Triple Bonds and Selected F-Substituted Derivatives.
    Del Bene JE; Alkorta I; Elguero J
    J Chem Theory Comput; 2009 Jan; 5(1):208-16. PubMed ID: 26609834
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Complexes with N-H(+)-P hydrogen bonds: structures, binding energies, and spin-spin coupling constants.
    Del Bene JE
    J Phys Chem A; 2007 Jun; 111(25):5509-14. PubMed ID: 17539616
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Ab initio EOM-CCSD investigation of one-bond C-C, N-C, and N-N spin-spin coupling constants in fluoroazines.
    Del Bene JE; Alkorta I; Elguero J
    J Phys Chem A; 2010 Apr; 114(15):5205-10. PubMed ID: 20353184
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Ab initio study of the influence of trimer formation on one- and two-bond spin-spin coupling constants across an X-H-Y hydrogen bond: AH:XH:YH3 complexes for A, X = 19F, 35Cl and Y = 15N, 31P.
    Del Bene JE; Elguero J; Alkorta I; Mó O; Yañez M
    J Phys Chem A; 2005 Mar; 109(10):2350-5. PubMed ID: 16839005
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Structural and electronic effects on one-bond spin-spin coupling constants 1J(B-N), 1J(B-H), and 1J(B-F) for complexes of nitrogen bases with BH3 and its fluoro-substituted derivatives.
    Del Bene JE; Alkorta I; Elguero J; Mó O; Yáñez M
    J Phys Chem A; 2010 Dec; 114(48):12775-9. PubMed ID: 21067128
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Characterizing hydrogen bonding and proton transfer in 2:1 FH:NH3 and FH:collidine complexes through one- and two-bond spin-spin coupling constants across hydrogen bonds.
    Del Bene JE; Elguero J
    J Phys Chem A; 2005 Dec; 109(47):10759-69. PubMed ID: 16863125
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Probing (1)J(C-F) and (n)J(F-F) spin-spin coupling constants for fluoroazines: an ab initio theoretical investigation.
    Del Bene JE; Alkorta I; Elguero J
    J Phys Chem A; 2010 Feb; 114(7):2637-43. PubMed ID: 20112975
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Structures, energies, and spin-spin coupling constants of methyl-substituted 1,3-diborata-2,4-diphosphoniocyclobutanes: four-member B-P-B-P rings B2P2(CH3)(n)H(8-n), with n = 0, 1, 2, 4.
    Del Bene JE; Alkorta I; Elguero J
    J Phys Chem A; 2011 Sep; 115(38):10502-10. PubMed ID: 21895014
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Spin-Spin Coupling Constants for Iminoboranes RBNH, HBNR, and RBNR and Comparisons with Corresponding Isoelectronic Acetylenes RCCH and RCCR, for R = H, CH3, NH2, OH, and F.
    Del Bene JE; Elguero J; Alkorta I; Yáñez M; Mó O
    J Chem Theory Comput; 2007 Mar; 3(2):549-56. PubMed ID: 26637034
    [TBL] [Abstract][Full Text] [Related]  

  • 14. (3h)J((15)N-(31)P) spin-spin coupling constants across N[bond]H....O[bond]P hydrogen bonds.
    Del Bene JE; Perera SA; Bartlett RJ; Elguero J; Alkorta I; López-Leonardo C; Alajarin M
    J Am Chem Soc; 2002 Jun; 124(22):6393-7. PubMed ID: 12033870
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Ab initio EOM-CCSD spin-spin coupling constants for hydrogen-bonded formamide complexes: bridging complexes with NH3, (NH3)2, H2O, (H2O)2, FH, and (FH)2.
    Del Bene JE; Alkorta I; Elguero J
    J Phys Chem A; 2008 Jul; 112(28):6338-43. PubMed ID: 18570358
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Systematic ab initio study of 15N-15N and 15N-1H spin-spin coupling constants across N-H+-N hydrogen bonds: predicting N-N and N-H coupling constants and relating them to hydrogen bond type.
    Del Bene JE; Elguero J
    J Phys Chem A; 2006 Jun; 110(23):7496-502. PubMed ID: 16759141
    [TBL] [Abstract][Full Text] [Related]  

  • 17. An ab initio study of cooperative effects in ternary complexes X:CNH:Z with X, Z = CNH, FH, ClH, FCl, and HLi: structures, binding energies, and spin-spin coupling constants across intermolecular bonds.
    Del Bene JE; Alkorta I; Elguero J
    Phys Chem Chem Phys; 2011 Aug; 13(31):13951-61. PubMed ID: 21647475
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Ab initio study of complexes with two cations as N-H donors to F-: structures and spin-spin coupling constants across N-H-F hydrogen bonds.
    Del Bene JE; Elguero J
    J Phys Chem A; 2005 Dec; 109(47):10753-8. PubMed ID: 16863124
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Ab initio study of ternary complexes A...NCH...C with A,C = HCN, HF, HCl, ClF, and LiH: energetics and spin-spin coupling constants across intermolecular bonds.
    Del Bene JE; Alkorta I; Elguero J
    J Phys Chem A; 2010 Aug; 114(32):8463-73. PubMed ID: 20701355
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Boron as an Electron-Pair Donor for B⋅⋅⋅Cl Halogen Bonds.
    Alkorta I; Elguero J; Del Bene JE
    Chemphyschem; 2016 Oct; 17(19):3112-3119. PubMed ID: 27412758
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.