BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

146 related articles for article (PubMed ID: 22578173)

  • 1. Investigation of spin-flip reactions of Zr + CH3CN by relativistic density functional theory.
    Li Q; Chen XY; Qiu YX; Wang SG
    J Phys Chem A; 2012 May; 116(21):5019-25. PubMed ID: 22578173
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Investigation of spin-flip reactions of Nb + CH3CN by relativistic density functional theory.
    Li Q; Qiu YX; Chen XY; Schwarz WH; Wang SG
    Phys Chem Chem Phys; 2012 May; 14(19):6833-41. PubMed ID: 22499228
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Spin-flip reaction of Re + CH4--a relativistic density functional theory investigation.
    Li J; Chen XY; Qiu YX; Wang SG
    J Phys Chem A; 2009 Jul; 113(30):8471-7. PubMed ID: 19572757
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Spin-flip reactions of Zr + C2H6 researched by relativistic density functional theory.
    Xiao Y; Chen XY; Qiu YX; Wang SG
    J Mol Model; 2013 Sep; 19(9):4003-12. PubMed ID: 23851999
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Investigation on spin-flip reaction of Re + CH3CN by relativistic density functional theory.
    Xiao Y; Ji WX; Wei-Xu ; Chen XY; Wang SG
    Dalton Trans; 2014 Jul; 43(25):9508-17. PubMed ID: 24825539
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Infrared spectra of CH(2)=Zr(H)NC, CH(3)-ZrNC, and eta(2)-Zr(NC)-CH(3) produced by reactions of laser-ablated Zr atoms with acetonitrile.
    Cho HG; Andrews L
    J Phys Chem A; 2010 Jan; 114(2):891-7. PubMed ID: 20014809
    [TBL] [Abstract][Full Text] [Related]  

  • 7. DFT functional benchmarking on the energy splitting of chromium spin states and mechanistic study of acetylene cyclotrimerization over the Phillips Cr(II)/silica catalyst.
    Liu Z; Cheng R; He X; Wu X; Liu B
    J Phys Chem A; 2012 Jul; 116(28):7538-49. PubMed ID: 22697502
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Theoretical Study on the Reaction Mechanism of Ti with CH3CN in the Gas Phase.
    Wang X; Wang Y; Li S; Zhang Y; Ma P
    J Phys Chem A; 2016 Jul; 120(28):5457-63. PubMed ID: 27367844
    [TBL] [Abstract][Full Text] [Related]  

  • 9. A simple density functional fractional occupation number procedure to determine the low energy transition region of spin-flip reactions.
    Wang SG; Chen XY; Eugen Schwarz WH
    J Chem Phys; 2007 Mar; 126(12):124109. PubMed ID: 17411110
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Explaining the singlet complexes detected for the reaction Zr(
    Avilés A; Torres AE; Balbuena PB; Colmenares F
    J Mol Model; 2017 Dec; 24(1):12. PubMed ID: 29247289
    [TBL] [Abstract][Full Text] [Related]  

  • 11. A theoretical study on the thermal ring opening rearrangement of 1H-bicyclo[3.1.0]hexa-3,5-dien-2-one: a case of two state reactivity.
    González-Navarrete P; Coto PB; Polo V; Andrés J
    Phys Chem Chem Phys; 2009 Sep; 11(33):7189-96. PubMed ID: 19672528
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Theoretical study of thermal spin transition between the singlet state and the quintet state in the [Fe(2-picolylamine)(3)](2+) spin crossover system.
    Shiota Y; Sato D; Juhász G; Yoshizawa K
    J Phys Chem A; 2010 May; 114(18):5862-9. PubMed ID: 20405889
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Theoretical study of the Cp2Zr-catalyzed hydrosilylation of ethylene. Reaction mechanism including new sigma-bond activation.
    Sakaki S; Takayama T; Sumimoto M; Sugimoto M
    J Am Chem Soc; 2004 Mar; 126(10):3332-48. PubMed ID: 15012164
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Relativistic DFT study on the reaction mechanism of second-row transition metal Ru with CO2.
    Chen XY; Zhao YX; Wang SG
    J Phys Chem A; 2006 Mar; 110(10):3552-8. PubMed ID: 16526635
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Photoelectron spectroscopic and electronic structure studies of CH(2)O bonding and reactivity on ZnO surfaces: steps in the methanol synthesis reaction.
    Jones PM; May JA; Reitz JB; Solomon EI
    Inorg Chem; 2004 May; 43(11):3349-70. PubMed ID: 15154797
    [TBL] [Abstract][Full Text] [Related]  

  • 16. DFT/TDDFT exploration of the potential energy surfaces of the ground state and excited states of Fe2(S2C3H6)(CO)6: a simple functional model of the [FeFe] hydrogenase active site.
    Bertini L; Greco C; De Gioia L; Fantucci P
    J Phys Chem A; 2009 May; 113(19):5657-70. PubMed ID: 19378958
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Reactions of F+(3P) and F+(1D) with silicon oxide. Possibility of spin-forbidden processes.
    Trujillo C; Lamsabhi AM; Mó O; Yañez M
    J Phys Chem A; 2006 Jun; 110(22):7130-7. PubMed ID: 16737263
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Density functional study of S(N) 2 substitution reactions for CH(3) Cl + CX(1) X(2•-) (X(1) X(2) = HH, HF, HCl, HBr, HI, FF, ClCl, BrBr, and II).
    Liang JX; Geng ZY; Wang YC
    J Comput Chem; 2012 Mar; 33(6):595-606. PubMed ID: 22241464
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Evidence for the involvement of 5f orbitals in the bonding and reactivity of organometallic actinide compounds: thorium(IV) and uranium(IV) bis(hydrazonato) complexes.
    Cantat T; Graves CR; Jantunen KC; Burns CJ; Scott BL; Schelter EJ; Morris DE; Hay PJ; Kiplinger JL
    J Am Chem Soc; 2008 Dec; 130(51):17537-51. PubMed ID: 19053455
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Singlet-triplet energy gaps for diradicals from fractional-spin density-functional theory.
    Ess DH; Johnson ER; Hu X; Yang W
    J Phys Chem A; 2011 Jan; 115(1):76-83. PubMed ID: 21141988
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.