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 *

157 related articles for article (PubMed ID: 22624975)

  • 1. Role of encapsulation of Na+ and F- ions on the Diels-Alder reactivity of C32.
    Ravinder P; Subramanian V
    J Phys Chem A; 2012 Jun; 116(25):6870-8. PubMed ID: 22624975
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Studies on the encapsulation of various anions in different fullerenes using density functional theory calculations and Born-Oppenheimer molecular dynamics simulation.
    Ravinder P; Subramanian V
    J Phys Chem A; 2011 Oct; 115(42):11723-33. PubMed ID: 21902253
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Cooperative effects, strengths of hydrogen bonds, and intermolecular interactions in circular cis, trans-cyclotriazane clusters (n = 3-8).
    Song HJ; Xiao HM; Dong HS
    J Chem Phys; 2006 Aug; 125(7):074308. PubMed ID: 16942340
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Toward an understanding of the catalytic role of hydrogen-bond donor solvents in the hetero-Diels-Alder reaction between acetone and butadiene derivative.
    Polo V; Domingo LR; Andrés J
    J Phys Chem A; 2005 Nov; 109(45):10438-44. PubMed ID: 16833341
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Theoretical study of properties of H bonds and intermolecular interactions in linear cis-,trans-cyclotriazane clusters (n = 2-8).
    Song HJ; Xiao HM; Dong HS
    J Chem Phys; 2006 Feb; 124(7):74317. PubMed ID: 16497046
    [TBL] [Abstract][Full Text] [Related]  

  • 6. A reactive bond orbital investigation of the Diels-Alder reaction between 1,3-butadiene and ethylene: Energy decomposition, state correlation diagram, and electron density analyses.
    Hirao H
    J Comput Chem; 2008 Jul; 29(9):1399-407. PubMed ID: 18213608
    [TBL] [Abstract][Full Text] [Related]  

  • 7. CDASE--a reliable scheme to explain the reactivity sequence between Diels-Alder pairs.
    Saha S; Roy RK; Pal S
    Phys Chem Chem Phys; 2010 Aug; 12(32):9328-38. PubMed ID: 20601981
    [TBL] [Abstract][Full Text] [Related]  

  • 8. An understanding of the electrophilic/nucleophilic behavior of electro-deficient 2,3-disubstituted 1,3-butadienes in polar diels-alder reactions. A density functional theory study.
    Domingo LR; Chamorro E; Pérez P
    J Phys Chem A; 2008 May; 112(17):4046-53. PubMed ID: 18370427
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Time-dependent density functional theory calculations for core-excited states: assessment of standard exchange-correlation functionals and development of a novel hybrid functional.
    Nakata A; Imamura Y; Otsuka T; Nakai H
    J Chem Phys; 2006 Mar; 124(9):94105. PubMed ID: 16526843
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Synergistic activation of the Diels-Alder reaction by an organic catalyst and substituents: a computational study.
    Linder M; Brinck T
    Org Biomol Chem; 2009 Apr; 7(7):1304-11. PubMed ID: 19300814
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Impact of Lewis acids on Diels-Alder reaction reactivity: a conceptual density functional theory study.
    Xia Y; Yin D; Rong C; Xu Q; Yin D; Liu S
    J Phys Chem A; 2008 Oct; 112(40):9970-7. PubMed ID: 18785697
    [TBL] [Abstract][Full Text] [Related]  

  • 12. New findings on the Diels-Alder reactions. An analysis based on the bonding evolution theory.
    Berski S; Andrés J; Silvi B; Domingo LR
    J Phys Chem A; 2006 Dec; 110(51):13939-47. PubMed ID: 17181354
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Calculations on the structure and spectral properties of cytochrome c551 using DFT and ONIOM methods.
    Rajapandian V; Subramanian V
    J Phys Chem A; 2011 Apr; 115(13):2866-76. PubMed ID: 21410170
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Theoretical study of the electronic structure of CnS (n=1-6) thiocumulenes.
    Pérez-Juste I; Graña AM; Carballeira L; Mosquera RA
    J Chem Phys; 2004 Dec; 121(21):10447-55. PubMed ID: 15549925
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Structure, stability and spectral signatures of monoprotic carborane acid-water clusters (CBW(n), where n = 1-6).
    Prakash M; Subramanian V
    Phys Chem Chem Phys; 2011 Dec; 13(48):21479-86. PubMed ID: 22052068
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Density functional theory studies on ice nanotubes.
    Kumar RM; Elango M; Parthasarathi R; Subramanian V
    J Phys Chem A; 2011 Nov; 115(45):12841-51. PubMed ID: 21834512
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Density functional theory determination of an axial gateway to explain the rate and endo selectivity enhancement of Diels-Alder reactions by bis(oxazoline)-Cu(II).
    DeChancie J; Acevedo O; Evanseck JD
    J Am Chem Soc; 2004 May; 126(19):6043-7. PubMed ID: 15137769
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Kinetic study of the Diels-Alder reaction of Li⁺@C₆₀ with cyclohexadiene: greatly increased reaction rate by encapsulated Li⁺.
    Ueno H; Kawakami H; Nakagawa K; Okada H; Ikuma N; Aoyagi S; Kokubo K; Matsuo Y; Oshima T
    J Am Chem Soc; 2014 Aug; 136(31):11162-7. PubMed ID: 25006694
    [TBL] [Abstract][Full Text] [Related]  

  • 19. A DFT study of Diels-Alder reactions of o-quinone methides and various substituted ethenes: selectivity and reaction mechanism.
    Wang H; Wang Y; Han KL; Peng XJ
    J Org Chem; 2005 Jun; 70(13):4910-7. PubMed ID: 15960488
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Theoretical and structural analysis of long C-C bonds in the adducts of polycyanoethylene and anthracene derivatives and their connection to the reversibility of Diels-Alder reactions.
    Hirsch AK; Reutenauer P; Le Moignan M; Ulrich S; Boul PJ; Harrowfield JM; Jarowski PD; Lehn JM
    Chemistry; 2014 Jan; 20(4):1073-80. PubMed ID: 24339005
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.