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 *

148 related articles for article (PubMed ID: 17963222)

  • 1. Revisiting the relationship between the bond length alternation and the first hyperpolarizability with range-separated hybrid functionals.
    Jacquemin D; Perpéte EA; Ciofini I; Adamo C
    J Comput Chem; 2008 Apr; 29(6):921-5. PubMed ID: 17963222
    [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 several hybrid DFT functionals for the evaluation of bond length alternation of increasingly long oligomers.
    Jacquemin D; Femenias A; Chermette H; Ciofini I; Adamo C; André JM; Perpète EA
    J Phys Chem A; 2006 May; 110(17):5952-9. PubMed ID: 16640395
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Geometry, dipole moment, polarizability and first hyperpolarizability of polymethineimine: an assessment of electron correlation contributions.
    Jacquemin D; Andre JM; Perpete EA
    J Chem Phys; 2004 Sep; 121(9):4389-96. PubMed ID: 15332990
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. Double hybrid functionals and the Π-system bond length alternation challenge: rivaling accuracy of post-HF methods.
    Wykes M; Su NQ; Xu X; Adamo C; Sancho-García JC
    J Chem Theory Comput; 2015 Feb; 11(2):832-8. PubMed ID: 26579607
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. Communication: Bond length alternation of conjugated oligomers: Another step on the fifth rung of Perdew's ladder of functional.
    Chabbal S; Jacquemin D; Adamo C; Stoll H; Leininger T
    J Chem Phys; 2010 Oct; 133(15):151104. PubMed ID: 20969362
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Bond Length Alternation of Conjugated Oligomers: Wave Function and DFT Benchmarks.
    Jacquemin D; Adamo C
    J Chem Theory Comput; 2011 Feb; 7(2):369-76. PubMed ID: 26596158
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Calculation of longitudinal polarizability and second hyperpolarizability of polyacetylene with the coupled perturbed Hartree-Fock/Kohn-Sham scheme: where it is shown how finite oligomer chains tend to the infinite periodic polymer.
    Lacivita V; Rèrat M; Orlando R; Ferrero M; Dovesi R
    J Chem Phys; 2012 Mar; 136(11):114101. PubMed ID: 22443743
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Computational study of static first hyperpolarizability of donor-acceptor substituted (E)-benzaldehyde phenylhydrazone.
    Lu SI
    J Comput Chem; 2011 Mar; 32(4):730-6. PubMed ID: 20925090
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Second-order Møller-Plesset evaluation of the bond length alternation of several series of linear oligomers.
    Jacquemin D; Femenias A; Chermette H; André JM; Perpète EA
    J Phys Chem A; 2005 Jun; 109(25):5734-41. PubMed ID: 16833906
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Ab initio assessment of the first hyperpolarizability of saturated and unsaturated polyaminoborane/polyphosphinoborane copolymers.
    Jacquemin D; Perpète EA
    J Phys Chem A; 2005 Jul; 109(28):6380-6. PubMed ID: 16833981
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Electronic hyperpolarizabilities for donor-acceptor molecules with long conjugated bridges: calculations versus experiment.
    Suponitsky KY; Liao Y; Masunov AE
    J Phys Chem A; 2009 Oct; 113(41):10994-1001. PubMed ID: 19772332
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Applicability of hybrid density functional theory methods to calculation of molecular hyperpolarizability.
    Suponitsky KY; Tafur S; Masunov AE
    J Chem Phys; 2008 Jul; 129(4):044109. PubMed ID: 18681636
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A comparative ab initio study of neutral and charged kink solitons on conjugated carbon chains.
    Mayo ML; Gartstein YN
    J Chem Phys; 2010 Feb; 132(6):064503. PubMed ID: 20151747
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. Applicability of DFT functionals for evaluating the first hyperpolarizability of phenol blue in solution.
    Brandão I; Fonseca TL; Franco LR; Georg HC; Castro MA
    J Chem Phys; 2021 Mar; 154(9):094501. PubMed ID: 33685136
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Static polarizability and second hyperpolarizability of closed- and open-shell pi-conjugated polymers.
    Hu W; Ma H; Liu C; Jiang Y
    J Chem Phys; 2007 Jan; 126(4):044903. PubMed ID: 17286505
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.