BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

603 related articles for article (PubMed ID: 16623452)

  • 1. Ab initio treatment of the chemical reaction precursor complex Cl(2P)-HF. 1. Three-dimensional diabatic potential energy surfaces.
    Fishchuk AV; Wormer PE; van der Avoird A
    J Phys Chem A; 2006 Apr; 110(16):5273-9. PubMed ID: 16623452
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Ab initio treatment of the chemical reaction precursor complex Br(2P)-HCN. 1. Adiabatic and diabatic potential surfaces.
    Fishchuk AV; Merritt JM; van der Avoird A
    J Phys Chem A; 2007 Aug; 111(31):7262-9. PubMed ID: 17567108
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Ab initio treatment of the chemical reaction precursor complex Cl(2P)-HF. 2. Bound states and infrared spectrum.
    Fishchuk AV; Groenenboom GC; van der Avoird A
    J Phys Chem A; 2006 Apr; 110(16):5280-8. PubMed ID: 16623453
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Ab initio treatment of the chemical reaction precursor complex Br(2P)-HCN. 2. Bound-state calculations and infrared spectra.
    Fishchuk AV; Merritt JM; Groenenboom GC; Avoird Av
    J Phys Chem A; 2007 Aug; 111(31):7270-81. PubMed ID: 17567109
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Ab initio calculation of the NH(3sigma-)-NH(3sigma-) interaction potentials in the quintet, triplet, and singlet states.
    Dhont GS; van Lenthe JH; Groenenboom GC; van der Avoird A
    J Chem Phys; 2005 Nov; 123(18):184302. PubMed ID: 16292903
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Ab initio study of the Br(2P)-HBr van der Waals complex.
    Toboła R; Chałasiński G; Kłos J; Szcześniak MM
    J Chem Phys; 2009 May; 130(18):184304. PubMed ID: 19449918
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Bound states of the OH(2Pi)-HCl complex on ab initio diabatic potentials.
    Groenenboom GC; Fishchuk AV; van der Avoird A
    J Chem Phys; 2009 Sep; 131(12):124307. PubMed ID: 19791881
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Theoretical study of the He-HF+ complex. I. The two asymptotically degenerate ground state potential energy surfaces.
    Lotrich VF; Wormer PE; van der Avoird A
    J Chem Phys; 2004 Jan; 120(1):93-102. PubMed ID: 15267265
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Ab initio computed diabatic potential energy surfaces of OH-HCl.
    Wormer PE; Kłos JA; Groenenboom GC; van der Avoird A
    J Chem Phys; 2005 Jun; 122(24):244325. PubMed ID: 16035775
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Multireference configuration interaction calculations for the F(2P)+HCl-->HF+Cl(2P) reaction: a correlation scaled ground state (1 2A') potential energy surface.
    Deskevich MP; Hayes MY; Takahashi K; Skodje RT; Nesbitt DJ
    J Chem Phys; 2006 Jun; 124(22):224303. PubMed ID: 16784270
    [TBL] [Abstract][Full Text] [Related]  

  • 11. A time-dependent wave packet study of the vibronic and spin-orbit interactions in the dynamics of Cl((2)P)+H(2)-->HCl(X (1)Sigma(g) (+))+H((2)S) reaction.
    Ghosal S; Mahapatra S
    J Chem Phys; 2004 Sep; 121(12):5740-53. PubMed ID: 15366998
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Theory of the photodissociation of ozone in the Hartley continuum: potential energy surfaces, conical intersections, and photodissociation dynamics.
    Baloïtcha E; Balint-Kurti GG
    J Chem Phys; 2005 Jul; 123(1):014306. PubMed ID: 16035834
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Conical intersections involving the dissociative 1pisigma* state in 9H-adenine: a quantum chemical ab initio study.
    Credo Chung W; Lan Z; Ohtsuki Y; Shimakura N; Domcke W; Fujimura Y
    Phys Chem Chem Phys; 2007 May; 9(17):2075-84. PubMed ID: 17464388
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Jahn-Teller effect in van der Waals complexes; Ar-C6H6 + and Ar-C6D6 +.
    van der Avoird A; Lotrich VF
    J Chem Phys; 2004 Jun; 120(21):10069-83. PubMed ID: 15268029
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Ab initio potential energy surfaces for NH((3)sigma(-))-NH((3)sigma(-)) with analytical long range.
    Janssen LM; Groenenboom GC; van der Avoird A; Zuchowski PS; Podeszwa R
    J Chem Phys; 2009 Dec; 131(22):224314. PubMed ID: 20001043
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Interactions in open-shell clusters: ab initio study of pre-reactive complex O(3P) + HCl.
    Rode JE; Klos J; Rajchel L; Szczesniak MM; Chalasinski G; Buchachenko AA
    J Phys Chem A; 2005 Dec; 109(50):11484-94. PubMed ID: 16354039
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Correlated ab initio investigations on the intermolecular and intramolecular potential energy surfaces in the ground electronic state of the O2(-)(X2Πg)-HF(X1Σ+) complex.
    Fawzy WM; Elsayed M; Zhang Y
    J Chem Phys; 2013 Jan; 138(1):014304. PubMed ID: 23298038
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Theoretical study of the LiCs molecule: adiabatic and diabatic potential energy and dipole moment.
    Mabrouk N; Berriche H; Ben Ouada H; Gadea FX
    J Phys Chem A; 2010 Jun; 114(24):6657-68. PubMed ID: 20518475
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Theoretical study of the He-HF+ complex. II. Rovibronic states from coupled diabatic potential energy surfaces.
    Dhont G; Zeimen WB; Groenenboom GC; van der Avoird A
    J Chem Phys; 2004 Jan; 120(1):103-16. PubMed ID: 15267266
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Ab initio potential-energy surface and rovibrational states of the HCN-HCl complex.
    van der Avoird A; Bondo Pedersen T; Dhont GS; Fernández B; Koch H
    J Chem Phys; 2006 May; 124(20):204315. PubMed ID: 16774340
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 31.