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 *

380 related articles for article (PubMed ID: 19045335)

  • 21. Strange Kinetics of the C(2)H(6) + CN Reaction Explained.
    Georgievskii Y; Klippenstein SJ
    J Phys Chem A; 2007 May; 111(19):3802-11. PubMed ID: 17388379
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Mechanisms for the deamination reaction of cytosine with H2O/OH(-) and 2H2O/OH(-): a computational study.
    Almatarneh MH; Flinn CG; Poirier RA
    J Chem Inf Model; 2008 Apr; 48(4):831-43. PubMed ID: 18380427
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Conformations of dimethylhydrogen phosphonate (DMHP): a matrix isolation infrared and ab initio study.
    Sundararajan K; Sankaran K
    J Phys Chem A; 2008 Jul; 112(26):5917-24. PubMed ID: 18533638
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Ab initio wavenumber accurate spectroscopy: 1CH2 and HCN vibrational levels on automatically generated IMLS potential energy surfaces.
    Dawes R; Wagner AF; Thompson DL
    J Phys Chem A; 2009 Apr; 113(16):4709-21. PubMed ID: 19371124
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Path integral calculation of thermal rate constants within the quantum instanton approximation: application to the H + CH4 --> H2 + CH3 hydrogen abstraction reaction in full Cartesian space.
    Zhao Y; Yamamoto T; Miller WH
    J Chem Phys; 2004 Feb; 120(7):3100-7. PubMed ID: 15268462
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Optimizing the structures of minimum and transition state on the free energy surface.
    Yang SY; Hristov I; Fleurat-Lessard P; Ziegler T
    J Phys Chem A; 2005 Jan; 109(1):197-204. PubMed ID: 16839106
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Incorporating Linear Synchronous Transit Interpolation into the Growing String Method: Algorithm and Applications.
    Behn A; Zimmerman PM; Bell AT; Head-Gordon M
    J Chem Theory Comput; 2011 Dec; 7(12):4019-25. PubMed ID: 26598348
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Improved constrained optimization method for reaction-path determination in the generalized hybrid orbital quantum mechanical/molecular mechanical calculations.
    Jung J; Re S; Sugita Y; Ten-no S
    J Chem Phys; 2013 Jan; 138(4):044106. PubMed ID: 23387567
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Development of generalized potential-energy surfaces using many-body expansions, neural networks, and moiety energy approximations.
    Malshe M; Narulkar R; Raff LM; Hagan M; Bukkapatnam S; Agrawal PM; Komanduri R
    J Chem Phys; 2009 May; 130(18):184102. PubMed ID: 19449903
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Electronic structure, binding energy, and solvation structure of the streptavidin-biotin supramolecular complex: ONIOM and 3D-RISM study.
    Li Q; Gusarov S; Evoy S; Kovalenko A
    J Phys Chem B; 2009 Jul; 113(29):9958-67. PubMed ID: 19545155
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Quantum mechanical study of stereoselectivity in the oxazaborolidine-catalyzed reduction of acetophenone.
    Alagona G; Ghio C; Persico M; Tomasi S
    J Am Chem Soc; 2003 Aug; 125(33):10027-39. PubMed ID: 12914466
    [TBL] [Abstract][Full Text] [Related]  

  • 32. A critical assessment of theoretical methods for finding reaction pathways and transition states of surface processes.
    Klimeš J; Bowler DR; Michaelides A
    J Phys Condens Matter; 2010 Feb; 22(7):074203. PubMed ID: 21386381
    [TBL] [Abstract][Full Text] [Related]  

  • 33. A single transition state serves two mechanisms. The branching ratio for CH2O*- + CH3Cl on improved potential energy surfaces.
    Li J; Shaik S; Schlegel HB
    J Phys Chem A; 2006 Mar; 110(8):2801-6. PubMed ID: 16494392
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Probing protein environment in an enzymatic process: All-electron quantum chemical analysis combined with ab initio quantum mechanical/molecular mechanical modeling of chorismate mutase.
    Ishida T
    J Chem Phys; 2008 Sep; 129(12):125105. PubMed ID: 19045066
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Insights into photodissociation dynamics of acetaldehyde from ab initio calculations and molecular dynamics simulations.
    Chen S; Fang WH
    J Chem Phys; 2009 Aug; 131(5):054306. PubMed ID: 19673561
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Multipath variational transition state theory: rate constant of the 1,4-hydrogen shift isomerization of the 2-cyclohexylethyl radical.
    Yu T; Zheng J; Truhlar DG
    J Phys Chem A; 2012 Jan; 116(1):297-308. PubMed ID: 22126663
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Quantum mechanical capture/phase space theory calculation of the rate constants for the complex-forming CH + H(2) reaction.
    Saracibar A; Goldfield EM; Gray SK
    J Phys Chem A; 2008 Dec; 112(49):12588-96. PubMed ID: 19007197
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Towards an understanding of the vibrational mode specificity for dissociative chemisorption of CH(4) on Ni(111): a 15 dimensional study.
    Prasanna KG; Olsen RA; Valdés A; Kroes GJ
    Phys Chem Chem Phys; 2010 Jul; 12(27):7654-61. PubMed ID: 20532358
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Flexible effective fragment QM/MM method: validation through the challenging tests.
    Nemukhin AV; Grigorenko BL; Topol IA; Burt SK
    J Comput Chem; 2003 Sep; 24(12):1410-20. PubMed ID: 12868106
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Direct hydride transfer in the reaction mechanism of quinoprotein alcohol dehydrogenases: a quantum mechanical investigation.
    Jongejan A; Jongejan JA; Hagen WR
    J Comput Chem; 2001 Nov; 22(15):1732-1749. PubMed ID: 12116408
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 19.