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 *

99 related articles for article (PubMed ID: 18923854)

  • 1. Density functional theory and Møller-Plesset studies of hindered rotations of acetone.
    Heidari M; Rahemi H; Tarashi A; Tayarri SF
    J Mol Model; 2008 Dec; 14(12):1173-81. PubMed ID: 18923854
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Conformational and vibrational analysis of methyl methanesulfonate, CH3SO2OCH3.
    Tuttolomondo ME; Navarro A; Peña T; Varetti EL; Parker SF; Ben Altabef A
    J Phys Chem A; 2009 Jul; 113(29):8401-8. PubMed ID: 19569677
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Linear free energy relationship for the anomeric effect: MP2, DFT and ab initio study of 2-substituted-1,4-dioxanes.
    Dabbagh HA; Naderi M; Chermahini AN
    Carbohydr Res; 2011 Jun; 346(8):1047-56. PubMed ID: 21511250
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Complex mechanism of relaxation in solid chloroxylenol (antibacterial/antifungal agent) studied by ¹H NMR spectroscopy and density functional theory calculations.
    Latosińska JN; Latosińska M; Tomczak MA; Medycki W
    J Phys Chem A; 2014 Mar; 118(12):2209-19. PubMed ID: 24628024
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Ab initio and DFT studies of the structure and vibrational spectra of anhydrous caffeine.
    Srivastava SK; Singh VB
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov; 115():45-50. PubMed ID: 23831977
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. Polarization functions for the modified m6-31G basis sets for atoms Ga through Kr.
    Mitin AV
    J Comput Chem; 2013 Sep; 34(23):2014-9. PubMed ID: 23775397
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Structure and energy difference of two isomers of He-CH3F.
    Higgins KJ; Klemperer W
    J Chem Phys; 2005 Jun; 122(24):244309. PubMed ID: 16035759
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Ab-initio and density functional study of L- and D-forms of alanine and serine in gas phase and bulk aqueous medium.
    Upadhyay DM; Rai AK; Rai DK; Singh AN; Kumar A
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Apr; 66(4-5):909-18. PubMed ID: 16872882
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Vibrational spectroscopic investigation and DFT studies on 2,2',4,4'-tetrabromodiphenyl ether.
    Qiu S; Liu L; Jin X; Zhang A; Wu K; Wang L
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Oct; 77(3):572-8. PubMed ID: 20650676
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Analytical energy gradients for local second-order Møller-Plesset perturbation theory using density fitting approximations.
    Schütz M; Werner HJ; Lindh R; Manby FR
    J Chem Phys; 2004 Jul; 121(2):737-50. PubMed ID: 15260600
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Density functional theory calculations of the lowest energy quintet and triplet states of model hemes: role of functional, basis set, and zero-point energy corrections.
    Khvostichenko D; Choi A; Boulatov R
    J Phys Chem A; 2008 Apr; 112(16):3700-11. PubMed ID: 18348545
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Van der Waals interactions between hydrocarbon molecules and zeolites: periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory.
    Göltl F; Grüneis A; Bučko T; Hafner J
    J Chem Phys; 2012 Sep; 137(11):114111. PubMed ID: 22998253
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Blue shifts and unusual intensity changes in the infrared spectra of the enflurane···acetone complexes: spectroscopic and theoretical studies.
    Zierkiewicz W; Czarnik-Matusewicz B; Michalska D
    J Phys Chem A; 2011 Oct; 115(41):11362-8. PubMed ID: 21913646
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Comparative vibrational spectroscopic studies, HOMO-LUMO, NBO analyses and thermodynamic functions of p-cresol and 2-methyl-p-cresol based on DFT calculations.
    Balachandran V; Murugan M; Nataraj A; Karnan M; Ilango G
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov; 132():538-49. PubMed ID: 24892532
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Concentration-dependent frequency shifts and Raman spectroscopic noncoincidence effect of the C=O stretching mode in dipolar mixtures of acetone/dimethyl sulfoxide. Experimental, theoretical, and simulation results.
    Giorgini MG; Musso M; Torii H
    J Phys Chem A; 2005 Jul; 109(26):5846-54. PubMed ID: 16833919
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Intermolecular CH···O/N H-bonds in the biologically important pairs of natural nucleobases: a thorough quantum-chemical study.
    Brovarets' OO; Yurenko YP; Hovorun DM
    J Biomol Struct Dyn; 2014; 32(6):993-1022. PubMed ID: 23730732
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Ab initio study of phenyl benzoate: structure, conformational analysis, dipole moment, IR and Raman vibrational spectra.
    Wrzalik R; Merkel K; Kocot A
    J Mol Model; 2003 Aug; 9(4):248-58. PubMed ID: 12856193
    [TBL] [Abstract][Full Text] [Related]  

  • 19. An exploration of electronic structure and nuclear dynamics in tropolone. I. The X 1A1 ground state.
    Burns LA; Murdock D; Vaccaro PH
    J Chem Phys; 2006 May; 124(20):204307. PubMed ID: 16774332
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Experimental and DFT studies on the vibrational and electronic spectra of 9-anthracenemethanol.
    Kou S; Zhou H; Tang G; Li R; Zhang Y; Zhao J; Wei C
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct; 96():768-75. PubMed ID: 22885894
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 5.