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 *

145 related articles for article (PubMed ID: 23851999)

  • 1. 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]  

  • 2. 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]  

  • 3. 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]  

  • 4. 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]  

  • 5. 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]  

  • 6. 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]  

  • 7. The C-H activation of methane by laser-ablated zirconium atoms: CH2=ZrH2, the simplest carbene hydride complex, agostic bonding, and (CH3)2ZrH2.
    Cho HG; Wang X; Andrews L
    J Am Chem Soc; 2005 Jan; 127(1):465-73. PubMed ID: 15631498
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Spin-Forbidden Reactions: Adiabatic Transition States Using Spin-Orbit Coupled Density Functional Theory.
    Gaggioli CA; Belpassi L; Tarantelli F; Harvey JN; Belanzoni P
    Chemistry; 2018 Apr; 24(20):5006-5015. PubMed ID: 29088506
    [TBL] [Abstract][Full Text] [Related]  

  • 9. A quantum chemical study of the mechanisms of olefin addition to group 9 transition metal dioxo compounds.
    Ahmed I; Tia R; Adei E
    Springerplus; 2016; 5(1):867. PubMed ID: 27386316
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Experimental and theoretical studies of the O(3P) + C2H4 reaction dynamics: collision energy dependence of branching ratios and extent of intersystem crossing.
    Fu B; Han YC; Bowman JM; Leonori F; Balucani N; Angelucci L; Occhiogrosso A; Petrucci R; Casavecchia P
    J Chem Phys; 2012 Dec; 137(22):22A532. PubMed ID: 23249069
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Theoretical study on the activation of C-H bond in ethane by PdX
    Nie YX; Zhang XX; Yuan YN; Lu F; Geng ZY
    J Mol Model; 2020 Apr; 26(5):91. PubMed ID: 32246290
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. 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]  

  • 15. Reaction Dynamics of O((3)P) + Propyne: II. Primary Products, Branching Ratios, and Role of Intersystem Crossing from Ab Initio Coupled Triplet/Singlet Potential Energy Surfaces and Statistical Calculations.
    Gimondi I; Cavallotti C; Vanuzzo G; Balucani N; Casavecchia P
    J Phys Chem A; 2016 Jul; 120(27):4619-33. PubMed ID: 27010914
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. 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]  

  • 18. Intersystem crossing and dynamics in O(3P) + C2H4 multichannel reaction: experiment validates theory.
    Fu B; Han YC; Bowman JM; Angelucci L; Balucani N; Leonori F; Casavecchia P
    Proc Natl Acad Sci U S A; 2012 Jun; 109(25):9733-8. PubMed ID: 22665777
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Intersystem crossings of the triplet and singlet States in cobalt and copper mononitrosyls.
    Uzunova EL
    J Phys Chem A; 2009 Oct; 113(42):11266-72. PubMed ID: 19788202
    [TBL] [Abstract][Full Text] [Related]  

  • 20. A two-state computational investigation of methane C--H and ethane C--C oxidative addition to [CpM(PH3)]n+ (M = Co, Rh, Ir; n = 0, 1).
    Petit A; Richard P; Cacelli I; Poli R
    Chemistry; 2006 Jan; 12(3):813-23. PubMed ID: 16331716
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.