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 *

118 related articles for article (PubMed ID: 16965065)

  • 21. Exploring the new three-dimensional ab initio interaction energy surface of the Ar-HF complex: rovibrational calculations for Ar-HF and Ar-DF with vibrationally excited diatoms.
    Jankowski P
    J Chem Phys; 2008 Apr; 128(15):154311. PubMed ID: 18433213
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Theoretical investigation of the dissociation dynamics of vibrationally excited vinyl bromide on an ab initio potential-energy surface obtained using modified novelty sampling and feedforward neural networks. II. Numerical application of the method.
    Malshe M; Raff LM; Rockley MG; Hagan M; Agrawal PM; Komanduri R
    J Chem Phys; 2007 Oct; 127(13):134105. PubMed ID: 17919009
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Accurate ab initio potential energy curve of F2. III. The vibration rotation spectrum.
    Bytautas L; Matsunaga N; Nagata T; Gordon MS; Ruedenberg K
    J Chem Phys; 2007 Nov; 127(20):204313. PubMed ID: 18052433
    [TBL] [Abstract][Full Text] [Related]  

  • 24. A hierarchical construction scheme for accurate potential energy surface generation: an application to the F+H2 reaction.
    Fu B; Xu X; Zhang DH
    J Chem Phys; 2008 Jul; 129(1):011103. PubMed ID: 18624461
    [TBL] [Abstract][Full Text] [Related]  

  • 25. An ab initio global potential-energy surface for NH2(A(2)A') and vibrational spectrum of the Renner-Teller A(2)A'-X(2)A" system.
    Zhou S; Li Z; Xie D; Lin SY; Guo H
    J Chem Phys; 2009 May; 130(18):184307. PubMed ID: 19449921
    [TBL] [Abstract][Full Text] [Related]  

  • 26. HO2 + O3 Reaction: Ab Initio Study and Implications in Atmospheric Chemistry.
    Viegas LP; Varandas AJ
    J Chem Theory Comput; 2010 Feb; 6(2):412-20. PubMed ID: 26617298
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Accurate ab initio and "hybrid" potential energy surfaces, intramolecular vibrational energies, and classical ir spectrum of the water dimer.
    Shank A; Wang Y; Kaledin A; Braams BJ; Bowman JM
    J Chem Phys; 2009 Apr; 130(14):144314. PubMed ID: 19368452
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Potential energy surface and unimolecular dynamics of stretched n-butane.
    Lourderaj U; McAfee JL; Hase WL
    J Chem Phys; 2008 Sep; 129(9):094701. PubMed ID: 19044880
    [TBL] [Abstract][Full Text] [Related]  

  • 29. On the R-dependence of the spin-orbit coupling constant: Potential energy functions of Xe(2) (+) by high-resolution photoelectron spectroscopy and ab initio quantum chemistry.
    Zehnder O; Mastalerz R; Reiher M; Merkt F; Dressler RA
    J Chem Phys; 2008 Jun; 128(23):234306. PubMed ID: 18570498
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Vibrational inelastic and charge transfer processes in H(+)+H2 system: an ab initio study.
    Amaran S; Kumar S
    J Chem Phys; 2007 Dec; 127(21):214304. PubMed ID: 18067354
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Interpolating moving least-squares methods for fitting potential energy surfaces: an application to the H2CN unimolecular reaction.
    Guo Y; Harding LB; Wagner AF; Minkoff M; Thompson DL
    J Chem Phys; 2007 Mar; 126(10):104105. PubMed ID: 17362059
    [TBL] [Abstract][Full Text] [Related]  

  • 32. SACM/CT Study of the dissociation/recombination dynamics of hydrogen peroxide on an ab initio potential energy surface. Part II. Specific rate constants k(E,J), thermal rate constants k infinity(T), and lifetime distributions.
    Troe J; Ushakov VG
    Phys Chem Chem Phys; 2008 Jul; 10(26):3915-24. PubMed ID: 18688391
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Accurate ab initio based DMBE potential energy surface for the ground electronic state of N2H2.
    Poveda LA; Biczysko M; Varandas AJ
    J Chem Phys; 2009 Jul; 131(4):044309. PubMed ID: 19655869
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Ab initio energies and product branching ratios for the O+C3H6 reaction.
    DeBoer GD; Dodd JA
    J Phys Chem A; 2007 Dec; 111(50):12977-84. PubMed ID: 17999472
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Reaction of O2 with the hydrogen atom in water up to 350 degrees C.
    Janik I; Bartels DM; Marin TW; Jonah CD
    J Phys Chem A; 2007 Jan; 111(1):79-88. PubMed ID: 17201391
    [TBL] [Abstract][Full Text] [Related]  

  • 36. The hydrogen abstraction reaction H + CH4. I. New analytical potential energy surface based on fitting to ab initio calculations.
    Corchado JC; Bravo JL; Espinosa-Garcia J
    J Chem Phys; 2009 May; 130(18):184314. PubMed ID: 19449928
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Fully Coriolis-coupled quantum studies of the H + O2 (upsilon i = 0-2, j i = 0,1) --> OH + O reaction on an accurate potential energy surface: integral cross sections and rate constants.
    Lin SY; Sun Z; Guo H; Zhang DH; Honvault P; Xie D; Lee SY
    J Phys Chem A; 2008 Jan; 112(4):602-11. PubMed ID: 18181592
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Ab initio and analytical intermolecular potential for ClO-H2O.
    Du S; Francisco JS; Schenter GK; Garrett BC
    J Chem Phys; 2007 Mar; 126(11):114304. PubMed ID: 17381203
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Ionized state of hydroperoxy radical-water hydrogen-bonded complex: (HO2-H2O)+.
    Joshi R; Ghanty TK; Naumov S; Mukherjee T
    J Phys Chem A; 2007 Dec; 111(51):13590-4. PubMed ID: 18052134
    [TBL] [Abstract][Full Text] [Related]  

  • 40. CVRQD ab initio ground-state adiabatic potential energy surfaces for the water molecule.
    Barletta P; Shirin SV; Zobov NF; Polyansky OL; Tennyson J; Valeev EF; Császár AG
    J Chem Phys; 2006 Nov; 125(20):204307. PubMed ID: 17144700
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 6.