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 *

290 related articles for article (PubMed ID: 17107118)

  • 21. A density functional theory (DFT) and time-dependent density functional theory (TDDFT) study on optical transitions in oligo(p-phenylenevinylene)-fullerene dyads and the applicability to resonant energy transfer.
    Toivonen TL; Hukka TI
    J Phys Chem A; 2007 Jun; 111(22):4821-8. PubMed ID: 17477511
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Computational study of thioflavin T torsional relaxation in the excited state.
    Stsiapura VI; Maskevich AA; Kuzmitsky VA; Turoverov KK; Kuznetsova IM
    J Phys Chem A; 2007 Jun; 111(22):4829-35. PubMed ID: 17497763
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Singlet-triplet energy splitting and excited states of phenylnitrene.
    Winkler M
    J Phys Chem A; 2008 Sep; 112(37):8649-53. PubMed ID: 18714972
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Broken-symmetry unrestricted hybrid density functional calculations on nickel dimer and nickel hydride.
    Diaconu CV; Cho AE; Doll JD; Freeman DL
    J Chem Phys; 2004 Nov; 121(20):10026-40. PubMed ID: 15549878
    [TBL] [Abstract][Full Text] [Related]  

  • 25. A long-range-corrected density functional that performs well for both ground-state properties and time-dependent density functional theory excitation energies, including charge-transfer excited states.
    Rohrdanz MA; Martins KM; Herbert JM
    J Chem Phys; 2009 Feb; 130(5):054112. PubMed ID: 19206963
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Benchmarks for electronically excited states: time-dependent density functional theory and density functional theory based multireference configuration interaction.
    Silva-Junior MR; Schreiber M; Sauer SP; Thiel W
    J Chem Phys; 2008 Sep; 129(10):104103. PubMed ID: 19044904
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Electronic and quantum dynamical insight into the ultrafast proton transfer of 1-hydroxy-2-acetonaphthone.
    Ortiz-Sánchez JM; Gelabert R; Moreno M; Lluch JM
    J Chem Phys; 2007 Aug; 127(8):084318. PubMed ID: 17764259
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Electronic-structure and quantum dynamical study of the photochromism of the aromatic Schiff base salicylideneaniline.
    Ortiz-Sánchez JM; Gelabert R; Moreno M; Lluch JM
    J Chem Phys; 2008 Dec; 129(21):214308. PubMed ID: 19063562
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Oxo-hydroxy tautomerism of 5-fluorouracil: water-assisted proton transfer.
    Markova N; Enchev V; Timtcheva I
    J Phys Chem A; 2005 Mar; 109(9):1981-8. PubMed ID: 16833532
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Parallel multireference configuration interaction calculations on mini-beta-carotenes and beta-carotene.
    Kleinschmidt M; Marian CM; Waletzke M; Grimme S
    J Chem Phys; 2009 Jan; 130(4):044708. PubMed ID: 19191405
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Spectroscopic investigations and potential energy surfaces of the ground and excited electronic states of 1,3-benzodioxan.
    McCann K; Wagner M; Guerra A; Coronado P; Villarreal JR; Choo J; Kim S; Laane J
    J Chem Phys; 2009 Jul; 131(4):044302. PubMed ID: 19655862
    [TBL] [Abstract][Full Text] [Related]  

  • 32. The structure and vibrational dynamics of the pyrrole dimer.
    Kabelác M; Hobza P; Spirko V
    Phys Chem Chem Phys; 2009 May; 11(20):3885-91. PubMed ID: 19440616
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Charge-transfer pipi* excited state in the 7-azaindole dimer. A hybrid configuration interactions singles/time-dependent density functional theory description.
    Gelabert R; Moreno M; Lluch JM
    J Phys Chem A; 2006 Jan; 110(3):1145-51. PubMed ID: 16420019
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Photodissociation dynamics of the NO dimer. I. Theoretical overview of the ultraviolet singlet excited states.
    Levchenko SV; Reisler H; Krylov AI; Gessner O; Stolow A; Shi H; East AL
    J Chem Phys; 2006 Aug; 125(8):084301. PubMed ID: 16965006
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Ground- and excited-state diatomic bond lengths, vibrational levels, and potential-energy curves from conventional and localized Hartree-Fock-based density-functional theory.
    Teale AM; Tozer DJ
    J Chem Phys; 2005 Jan; 122(3):34101. PubMed ID: 15740186
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Understanding ground- and excited-state properties of perylene tetracarboxylic acid bisimide crystals by means of quantum chemical computations.
    Zhao HM; Pfister J; Settels V; Renz M; Kaupp M; Dehm VC; Würthner F; Fink RF; Engels B
    J Am Chem Soc; 2009 Nov; 131(43):15660-8. PubMed ID: 19860479
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Charge-transfer excited states in a pi-stacked adenine dimer, as predicted using long-range-corrected time-dependent density functional theory.
    Lange AW; Rohrdanz MA; Herbert JM
    J Phys Chem B; 2008 May; 112(20):6304-8. PubMed ID: 18438995
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Two-dimensional H2O-Cl2 and H2O-Br2 potential surfaces: an ab initio study of ground and valence excited electronic states.
    Hernandez-Lamoneda R; Rosas VH; Uruchurtu MI; Halberstadt N; Janda KC
    J Phys Chem A; 2008 Jan; 112(1):89-96. PubMed ID: 18076150
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Density functional theory calculations of the lowest energy quintet and triplet states of model hemes: role of functional, basis set, and zero-point energy corrections.
    Khvostichenko D; Choi A; Boulatov R
    J Phys Chem A; 2008 Apr; 112(16):3700-11. PubMed ID: 18348545
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Excited-state intramolecular proton transfer: a survey of TDDFT and RI-CC2 excited-state potential energy surfaces.
    Aquino AJ; Lischka H; Hättig C
    J Phys Chem A; 2005 Apr; 109(14):3201-8. PubMed ID: 16833649
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 15.