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 *

143 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.