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 *

358 related articles for article (PubMed ID: 24902000)

  • 1. Photoemission spectra and density functional theory calculations of 3d transition metal-aqua complexes (Ti-Cu) in aqueous solution.
    Yepes D; Seidel R; Winter B; Blumberger J; Jaque P
    J Phys Chem B; 2014 Jun; 118(24):6850-63. PubMed ID: 24902000
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Structural and electronic properties of reduced transition metal oxide clusters, M4O10 and M4O10- (M = Cr, W), from photoelectron spectroscopy and quantum chemical calculations.
    Li S; Zhai HJ; Wang LS; Dixon DA
    J Phys Chem A; 2012 May; 116(21):5256-71. PubMed ID: 22551114
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Interaction of metal ions with biomolecular ligands: how accurate are calculated free energies associated with metal ion complexation?
    Gutten O; Beššeová I; Rulíšek L
    J Phys Chem A; 2011 Oct; 115(41):11394-402. PubMed ID: 21888367
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Interaction between group IIb divalent transition-metal cations and 3-mercaptopropionic acid: a computational and topological perspective.
    Bagchi S; Mandal D; Ghosh D; Das AK
    J Phys Chem A; 2013 Feb; 117(7):1601-13. PubMed ID: 23330972
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Do Practical Standard Coupled Cluster Calculations Agree Better than Kohn-Sham Calculations with Currently Available Functionals When Compared to the Best Available Experimental Data for Dissociation Energies of Bonds to 3d Transition Metals?
    Xu X; Zhang W; Tang M; Truhlar DG
    J Chem Theory Comput; 2015 May; 11(5):2036-52. PubMed ID: 26574408
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Valence Electronic Structure of Aqueous Solutions: Insights from Photoelectron Spectroscopy.
    Seidel R; Winter B; Bradforth SE
    Annu Rev Phys Chem; 2016 May; 67():283-305. PubMed ID: 27023757
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Square-antiprismatic eight-coordinate complexes of divalent first-row transition metal cations: a density functional theory exploration of the electronic-structural landscape.
    Conradie J; Patra AK; Harrop TC; Ghosh A
    Inorg Chem; 2015 Feb; 54(4):1375-83. PubMed ID: 25574575
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Single-ion reorganization free energy of aqueous Ru(bpy)32+/3+ and Ru(H2O)62+/3+ from photoemission spectroscopy and density functional molecular dynamics simulation.
    Seidel R; Faubel M; Winter B; Blumberger J
    J Am Chem Soc; 2009 Nov; 131(44):16127-37. PubMed ID: 19831354
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Effect of metal ions (Li+, Na+, K+, Mg2+, Ca2+, Ni2+, Cu2+, and Zn2+) and water coordination on the structure of glycine and zwitterionic glycine.
    Remko M; Rode BM
    J Phys Chem A; 2006 Feb; 110(5):1960-7. PubMed ID: 16451030
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. Estimation of the pKa values of water ligands in transition metal complexes using density functional theory with polarized continuum model solvent corrections.
    Gilson R; Durrant MC
    Dalton Trans; 2009 Dec; (46):10223-30. PubMed ID: 19921057
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Density functional theory-based prediction of the formation constants of complexes of ammonia in aqueous solution: indications of the role of relativistic effects in the solution chemistry of gold(I).
    Hancock RD; Bartolotti LJ
    Inorg Chem; 2005 Oct; 44(20):7175-83. PubMed ID: 16180881
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Influence of the d orbital occupation on the structures and sequential binding energies of pyridine to the late first-row divalent transition metal cations: a DFT study.
    Nose H; Rodgers MT
    J Phys Chem A; 2014 Sep; 118(37):8129-40. PubMed ID: 24786545
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Electron binding energies of aqueous alkali and halide ions: EUV photoelectron spectroscopy of liquid solutions and combined ab initio and molecular dynamics calculations.
    Winter B; Weber R; Hertel IV; Faubel M; Jungwirth P; Brown EC; Bradforth SE
    J Am Chem Soc; 2005 May; 127(19):7203-14. PubMed ID: 15884962
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Energy-resolved collision-induced dissociation studies of 1,10-phenanthroline complexes of the late first-row divalent transition metal cations: determination of the third sequential binding energies.
    Nose H; Chen Y; Rodgers MT
    J Phys Chem A; 2013 May; 117(20):4316-30. PubMed ID: 23565706
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Valence photoemission spectra of aqueous Fe(2+/3+) and [Fe(CN)6](4-/3-) and their interpretation by DFT calculations.
    Seidel R; Thürmer S; Moens J; Geerlings P; Blumberger J; Winter B
    J Phys Chem B; 2011 Oct; 115(40):11671-7. PubMed ID: 21809848
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Description of the ground-state covalencies of the bis(dithiolato) transition-metal complexes from X-ray absorption spectroscopy and time-dependent density-functional calculations.
    Ray K; Debeer George S; Solomon EI; Wieghardt K; Neese F
    Chemistry; 2007; 13(10):2783-97. PubMed ID: 17290468
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Hydration structure and free energy of biomolecularly specific aqueous dications, including Zn2+ and first transition row metals.
    Asthagiri D; Pratt LR; Paulaitis ME; Rempe SB
    J Am Chem Soc; 2004 Feb; 126(4):1285-9. PubMed ID: 14746502
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Comparative studies of the spectroscopy of CuCl2: DFT versus standard ab initio approaches.
    Ramírez-Solís A; Poteau R; Vela A; Daudey JP
    J Chem Phys; 2005 Apr; 122(16):164306. PubMed ID: 15945683
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Experimental and quantum chemical modeling studies of the interactions of L-phenylalanine with divalent transition metal cations.
    Mandal S; Das G; Askari H
    J Chem Inf Model; 2014 Sep; 54(9):2524-35. PubMed ID: 25207483
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 18.