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 *

323 related articles for article (PubMed ID: 18361555)

  • 1. Calculation of electric dipole (hyper)polarizabilities by long-range-correction scheme in density functional theory: a systematic assessment for polydiacetylene and polybutatriene oligomers.
    Kirtman B; Bonness S; Ramirez-Solis A; Champagne B; Matsumoto H; Sekino H
    J Chem Phys; 2008 Mar; 128(11):114108. PubMed ID: 18361555
    [TBL] [Abstract][Full Text] [Related]  

  • 2. First hyperpolarizability of polymethineimine with long-range corrected functionals.
    Jacquemin D; Perpète EA; Medved' M; Scalmani G; Frisch MJ; Kobayashi R; Adamo C
    J Chem Phys; 2007 May; 126(19):191108. PubMed ID: 17523788
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Assessment of the efficiency of long-range corrected functionals for some properties of large compounds.
    Jacquemin D; Perpète EA; Scalmani G; Frisch MJ; Kobayashi R; Adamo C
    J Chem Phys; 2007 Apr; 126(14):144105. PubMed ID: 17444699
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Long-range corrected density functional theory study on static second hyperpolarizabilities of singlet diradical systems.
    Kishi R; Bonness S; Yoneda K; Takahashi H; Nakano M; Botek E; Champagne B; Kubo T; Kamada K; Ohta K; Tsuneda T
    J Chem Phys; 2010 Mar; 132(9):094107. PubMed ID: 20210389
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Density-functional theory (hyper)polarizabilities of push-pull pi-conjugated systems: treatment of exact exchange and role of correlation.
    Bulat FA; Toro-Labbé A; Champagne B; Kirtman B; Yang W
    J Chem Phys; 2005 Jul; 123(1):014319. PubMed ID: 16035847
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Benchmarking two-photon absorption with CC3 quadratic response theory, and comparison with density-functional response theory.
    Paterson MJ; Christiansen O; Pawłowski F; Jorgensen P; Hättig C; Helgaker T; Sałek P
    J Chem Phys; 2006 Feb; 124(5):054322. PubMed ID: 16468884
    [TBL] [Abstract][Full Text] [Related]  

  • 7. An improved long-range corrected hybrid exchange-correlation functional including a short-range Gaussian attenuation (LCgau-BOP).
    Song JW; Tokura S; Sato T; Watson MA; Hirao K
    J Chem Phys; 2007 Oct; 127(15):154109. PubMed ID: 17949134
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Core-excitation energy calculations with a long-range corrected hybrid exchange-correlation functional including a short-range Gaussian attenuation (LCgau-BOP).
    Song JW; Watson MA; Nakata A; Hirao K
    J Chem Phys; 2008 Nov; 129(18):184113. PubMed ID: 19045392
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Nonlinear optical property calculations of polyynes with long-range corrected hybrid exchange-correlation functionals.
    Song JW; Watson MA; Sekino H; Hirao K
    J Chem Phys; 2008 Jul; 129(2):024117. PubMed ID: 18624526
    [TBL] [Abstract][Full Text] [Related]  

  • 10. An improved long-range corrected hybrid functional with vanishing Hartree-Fock exchange at zero interelectronic distance (LC2gau-BOP).
    Song JW; Watson MA; Hirao K
    J Chem Phys; 2009 Oct; 131(14):144108. PubMed ID: 19831434
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Nonlinear optical property calculations by the long-range-corrected coupled-perturbed Kohn-Sham method.
    Kamiya M; Sekino H; Tsuneda T; Hirao K
    J Chem Phys; 2005 Jun; 122(23):234111. PubMed ID: 16008434
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Density functional theory investigation of the polarizability and second hyperpolarizability of polydiacetylene and polybutatriene chains: treatment of exact exchange and role of correlation.
    Champagne B; Bulat FA; Yang W; Bonness S; Kirtman B
    J Chem Phys; 2006 Nov; 125(19):194114. PubMed ID: 17129096
    [TBL] [Abstract][Full Text] [Related]  

  • 13. The importance of middle-range Hartree-Fock-type exchange for hybrid density functionals.
    Henderson TM; Izmaylov AF; Scuseria GE; Savin A
    J Chem Phys; 2007 Dec; 127(22):221103. PubMed ID: 18081380
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Absorption and fluorescence properties of oligothiophene biomarkers from long-range-corrected time-dependent density functional theory.
    Wong BM; Piacenza M; Della Sala F
    Phys Chem Chem Phys; 2009 Jun; 11(22):4498-508. PubMed ID: 19475168
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Coumarin dyes for dye-sensitized solar cells: A long-range-corrected density functional study.
    Wong BM; Cordaro JG
    J Chem Phys; 2008 Dec; 129(21):214703. PubMed ID: 19063571
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Performance of density functional theory in computing nonresonant vibrational (hyper)polarizabilities.
    Bulik IW; Zaleśny R; Bartkowiak W; Luis JM; Kirtman B; Scuseria GE; Avramopoulos A; Reis H; Papadopoulos MG
    J Comput Chem; 2013 Jul; 34(20):1775-84. PubMed ID: 23677638
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Dynamic polarizabilities of polyaromatic hydrocarbons using coupled-cluster linear response theory.
    Hammond JR; Kowalski K; deJong WA
    J Chem Phys; 2007 Oct; 127(14):144105. PubMed ID: 17935384
    [TBL] [Abstract][Full Text] [Related]  

  • 18. A density-functional study on pi-aromatic interaction: benzene dimer and naphthalene dimer.
    Sato T; Tsuneda T; Hirao K
    J Chem Phys; 2005 Sep; 123(10):104307. PubMed ID: 16178597
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Ab initio studies of properties of small potassium clusters.
    Banerjee A; Ghanty TK; Chakrabarti A
    J Phys Chem A; 2008 Dec; 112(48):12303-11. PubMed ID: 18998655
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Theoretical investigation of the (hyper)polarizabilities of pyrrole homologues C4H4XH (X = N, P, As, Sb, Bi). A coupled-cluster and density functional theory study.
    Alparone A; Reis H; Papadopoulos MG
    J Phys Chem A; 2006 May; 110(17):5909-18. PubMed ID: 16640389
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 17.