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 *

270 related articles for article (PubMed ID: 16774405)

  • 1. Vinylidene-acetylene cation isomerization investigated by large scale ab initio calculations.
    Boyé-Péronne S; Gauyacq D; Liévin J
    J Chem Phys; 2006 Jun; 124(21):214305. PubMed ID: 16774405
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Theoretical study of isomerization and dissociation of acetylene dication in the ground and excited electronic states.
    Zyubina TS; Dyakov YA; Lin SH; Bandrauk AD; Mebel AM
    J Chem Phys; 2005 Oct; 123(13):134320. PubMed ID: 16223301
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Calculating energy levels of isomerizing tetra-atomic molecules. II. The vibrational states of acetylene and vinylidene.
    Kozin IN; Law MM; Tennyson J; Hutson JM
    J Chem Phys; 2005 Feb; 122(6):064309. PubMed ID: 15740374
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Revisiting Mulliken's concepts about Rydberg states and Rydberg-valence interactions from large-scale Ab initio calculations on the acetylene molecule.
    Laruelle F; Boyé-Péronne S; Gauyacq D; Liévin J
    J Phys Chem A; 2009 Nov; 113(47):13210-20. PubMed ID: 19639976
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Theoretical description of electronically excited vinylidene up to 10 eV: first high level ab initio study of singlet valence and Rydberg states.
    Boyé-Péronne S; Gauyacq D; Liévin J
    J Chem Phys; 2014 Nov; 141(17):174317. PubMed ID: 25381524
    [TBL] [Abstract][Full Text] [Related]  

  • 6. OOCO+ cation I: characterization of its isomers and lowest electronic states.
    Ndome H; Alcaraz C; Hochlaf M
    J Chem Phys; 2007 Aug; 127(6):064312. PubMed ID: 17705601
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Elementary constituents of microdevices: the Ge2H fragment.
    Wang H; Wang S; Yamaguchi Y; Schaefer HF
    J Chem Phys; 2006 Oct; 125(16):164317. PubMed ID: 17092083
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Vacuum ultraviolet photoionization of C3.
    Nicolas C; Shu J; Peterka DS; Hochlaf M; Poisson L; Leone SR; Ahmed M
    J Am Chem Soc; 2006 Jan; 128(1):220-6. PubMed ID: 16390150
    [TBL] [Abstract][Full Text] [Related]  

  • 9. High-resolution pulsed-field-ionization zero-kinetic-energy photoelectron spectroscopic study of the two lowest electronic states of the ozone cation O3+.
    Willitsch S; Innocenti F; Dyke JM; Merkt F
    J Chem Phys; 2005 Jan; 122(2):024311. PubMed ID: 15638590
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Ab initio study of the ionization of the DNA bases: ionization potentials and excited states of the cations.
    Cauët E; Dehareng D; Liévin J
    J Phys Chem A; 2006 Jul; 110(29):9200-11. PubMed ID: 16854034
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Ground and excited states of singlet, cation doublet, and anion doublet states of o-benzoquinone: a theoretical study.
    Honda Y; Hada M; Ehara M; Nakatsuji H
    J Phys Chem A; 2007 Apr; 111(13):2634-9. PubMed ID: 17388344
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Diradicals, antiaromaticity, and the pseudo-Jahn-Teller effect: electronic and rovibronic structures of the cyclopentadienyl cation.
    Wörner HJ; Merkt F
    J Chem Phys; 2007 Jul; 127(3):034303. PubMed ID: 17655439
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Characterization of singlet ground and low-lying electronic excited states of phosphaethyne and isophosphaethyne.
    Ingels JB; Turney JM; Richardson NA; Yamaguchi Y; Schaefer HF
    J Chem Phys; 2006 Sep; 125(10):104306. PubMed ID: 16999525
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Toward spectroscopically accurate global ab initio potential energy surface for the acetylene-vinylidene isomerization.
    Han H; Li A; Guo H
    J Chem Phys; 2014 Dec; 141(24):244312. PubMed ID: 25554156
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Electronic state spectroscopy of c-C5F8 explored by photoabsorption, electron impact, photoelectron spectroscopies and ab initio calculations.
    Limão-Vieira P; Duflot D; Giuliani A; Vasekova E; Lourenço JM; Santos PM; Hoffmann SV; Mason NJ; Delwiche J; Hubin-Franskin MJ
    J Phys Chem A; 2008 Apr; 112(13):2782-93. PubMed ID: 18331010
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. Probing E/Z isomerization on the C10H8 potential energy surface with ultraviolet population transfer spectroscopy.
    Newby JJ; Müller CW; Liu CP; Zwier TS
    J Am Chem Soc; 2010 Feb; 132(5):1611-20. PubMed ID: 20067293
    [TBL] [Abstract][Full Text] [Related]  

  • 19. An ab initio study of the ground and excited state chemistry of phenyldiazirine and phenyldiazomethane.
    Zhang Y; Vyas S; Hadad CM; Platz MS
    J Phys Chem A; 2010 May; 114(18):5902-12. PubMed ID: 20405896
    [TBL] [Abstract][Full Text] [Related]  

  • 20. An ab initio study of the low-lying electronic states of S3.
    Peterson KA; Lyons JR; Francisco JS
    J Chem Phys; 2006 Aug; 125(8):084314. PubMed ID: 16965019
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 14.