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 *

433 related articles for article (PubMed ID: 16640389)

  • 1. 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]  

  • 2. Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systems.
    Champagne B; Botek E; Nakano M; Nitta T; Yamaguchi K
    J Chem Phys; 2005 Mar; 122(11):114315. PubMed ID: 15839724
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Electric dipole (hyper)polarizabilities of selected X2Y2 and X3Y3 (X = Al, Ga, In and Y = P, As): III-V semiconductor clusters. An ab initio comparative study.
    Karamanis P; Pouchan C; Leszczynski J
    J Phys Chem A; 2008 Dec; 112(51):13662-71. PubMed ID: 19093824
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Dynamic (hyper)polarizabilities of the sulphur dioxide molecule: coupled cluster calculations including vibrational corrections.
    Naves ES; Castro MA; Fonseca TL
    J Chem Phys; 2012 Jan; 136(1):014303. PubMed ID: 22239777
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Dynamic (hyper)polarizabilities of the ozone molecule: coupled cluster calculations including vibrational corrections.
    Naves ES; Castro MA; Fonseca TL
    J Chem Phys; 2011 Feb; 134(5):054315. PubMed ID: 21303128
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. Ab initio determination of the electric multipole moments and static (hyper)polarizability of HCCX, X = F, Cl, Br, and I.
    Maroulis G
    J Comput Chem; 2003 Mar; 24(4):443-52. PubMed ID: 12594787
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Ab initio finite field (hyper)polarizability computations on stoichiometric gallium arsenide clusters GanAsn (n=2-9).
    Karamanis P; Bégué D; Pouchan C
    J Chem Phys; 2007 Sep; 127(9):094706. PubMed ID: 17824758
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Theoretical study on nonlinear optical properties of the Li(+)[calix[4]pyrrole]Li(-)dimer, trimer and its polymer with diffuse excess electrons.
    Yu GT; Chen W; Gu FL; Aoki Y
    J Comput Chem; 2010 Mar; 31(4):863-70. PubMed ID: 19603500
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Ab initio and DFT study of the geometric structures and static dipole (hyper)polarizabilities of aromatic anions.
    Castellano O; Bermúdez Y; Giffard M; Mabon G; Cubillan N; Sylla M; Nguyen-Phu X; Hinchliffe A; Soscún H
    J Phys Chem A; 2005 Nov; 109(45):10380-7. PubMed ID: 16833334
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Accurate dipole polarizabilities for water clusters n=2-12 at the coupled-cluster level of theory and benchmarking of various density functionals.
    Hammond JR; Govind N; Kowalski K; Autschbach J; Xantheas SS
    J Chem Phys; 2009 Dec; 131(21):214103. PubMed ID: 19968333
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Polarizabilities and hyperpolarizabilities for the atoms Al, Si, P, S, Cl, and Ar: Coupled cluster calculations.
    Lupinetti C; Thakkar AJ
    J Chem Phys; 2005 Jan; 122(4):44301. PubMed ID: 15740242
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Analytic density functional theory calculations of pure vibrational hyperpolarizabilities: the first dipole hyperpolarizability of retinal and related molecules.
    Gao B; Ringholm M; Bast R; Ruud K; Thorvaldsen AJ; Jaszuński M
    J Phys Chem A; 2014 Jan; 118(4):748-56. PubMed ID: 24405250
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Theoretical study of the electronic structure of CnS (n=1-6) thiocumulenes.
    Pérez-Juste I; Graña AM; Carballeira L; Mosquera RA
    J Chem Phys; 2004 Dec; 121(21):10447-55. PubMed ID: 15549925
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Pseudo-Jahn-Teller origin of the low barrier hydrogen bond in N(2)H(7) (+).
    García-Fernández P; García-Canales L; García-Lastra JM; Junquera J; Moreno M; Aramburu JA
    J Chem Phys; 2008 Sep; 129(12):124313. PubMed ID: 19045029
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Bonding and (hyper)polarizability in the sodium dimer.
    Maroulis G
    J Chem Phys; 2004 Dec; 121(21):10519-24. PubMed ID: 15549935
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Doping-enhanced hyperpolarizabilities of silicon clusters: a global ab initio and density functional theory study of Si10 (Li, Na, K)n (n=1, 2) clusters.
    Karamanis P; Marchal R; Carbonniére P; Pouchan C
    J Chem Phys; 2011 Jul; 135(4):044511. PubMed ID: 21806142
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
    Pai CC; Li AH; Chao SD
    J Phys Chem A; 2007 Nov; 111(46):11922-9. PubMed ID: 17963367
    [TBL] [Abstract][Full Text] [Related]  

  • 19. A systematic density functional study of the zero-field splitting in Mn(II) coordination compounds.
    Zein S; Duboc C; Lubitz W; Neese F
    Inorg Chem; 2008 Jan; 47(1):134-42. PubMed ID: 18072763
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Gas phase optical rotation calculated from coupled cluster theory with zero-point vibrational corrections from density funcional theory.
    Pedersen TB; Kongsted J; Crawford TD
    Chirality; 2009; 21 Suppl 1():E68-75. PubMed ID: 19743487
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 22.