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 *

175 related articles for article (PubMed ID: 16983168)

  • 1. Anisotropic displacement parameters for H atoms using an ONIOM approach.
    Whitten AE; Spackman MA
    Acta Crystallogr B; 2006 Oct; 62(Pt 5):875-88. PubMed ID: 16983168
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Modeling of the nuclear parameters for H atoms in X-ray charge-density studies.
    Madsen AØ; Sørensen HO; Flensburg C; Stewart RF; Larsen S
    Acta Crystallogr A; 2004 Nov; 60(Pt 6):550-61. PubMed ID: 15507737
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Estimated H-atom anisotropic displacement parameters: a comparison between different methods and with neutron diffraction results.
    Munshi P; Madsen AØ; Spackman MA; Larsen S; Destro R
    Acta Crystallogr A; 2008 Jul; 64(Pt 4):465-75. PubMed ID: 18560163
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Electron distribution and molecular motion in crystalline benzene: an accurate experimental study combining CCD X-ray data on C6H6 with multitemperature neutron-diffraction results on C6D6.
    Bürgi HB; Capelli SC; Goeta AE; Howard JA; Spackman MA; Yufit DS
    Chemistry; 2002 Aug; 8(15):3512-21. PubMed ID: 12203331
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Reassessment of large dipole moment enhancements in crystals: a detailed experimental and theoretical charge density analysis of 2-methyl-4-nitroaniline.
    Whitten AE; Turner P; Klooster WT; Piltz RO; Spackman MA
    J Phys Chem A; 2006 Jul; 110(28):8763-76. PubMed ID: 16836439
    [TBL] [Abstract][Full Text] [Related]  

  • 6. On QM/MM and MO/MO cluster calculations of all-atom anisotropic displacement parameters for molecules in crystal structures.
    Dittrich B; Pfitzenreuter S; Hübschle CB
    Acta Crystallogr A; 2012 Jan; 68(Pt 1):110-6. PubMed ID: 22186287
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Molecular motion in crystalline naphthalene: analysis of multi-temperature X-ray and neutron diffraction data.
    Capelli SC; Albinati A; Mason SA; Willis BT
    J Phys Chem A; 2006 Oct; 110(41):11695-703. PubMed ID: 17034163
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Towards the best model for H atoms in experimental charge-density refinement.
    Hoser AA; Dominiak PM; Woźniak K
    Acta Crystallogr A; 2009 Jul; 65(Pt 4):300-11. PubMed ID: 19535851
    [TBL] [Abstract][Full Text] [Related]  

  • 9. X-ray structure refinement using aspherical atomic density functions obtained from quantum-mechanical calculations.
    Jayatilaka D; Dittrich B
    Acta Crystallogr A; 2008 May; 64(Pt 3):383-93. PubMed ID: 18421128
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A neutron diffraction study of xylitol: derivation of mean square internal vibrations for H atoms from a rigid-body description.
    Madsen AØ; Mason S; Larsen S
    Acta Crystallogr B; 2003 Oct; 59(Pt 5):653-63. PubMed ID: 14586087
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Structure of Ca(BD4)2 beta-phase from combined neutron and synchrotron X-ray powder diffraction data and density functional calculations.
    Buchter F; Łodziana Z; Remhof A; Friedrichs O; Borgschulte A; Mauron P; Züttel A; Sheptyakov D; Barkhordarian G; Bormann R; Chłopek K; Fichtner M; Sørby M; Riktor M; Hauback B; Orimo S
    J Phys Chem B; 2008 Jul; 112(27):8042-8. PubMed ID: 18553898
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Comparison of different strategies for modelling hydrogen atoms in charge density analyses.
    Köhler C; Lübben J; Krause L; Hoffmann C; Herbst-Irmer R; Stalke D
    Acta Crystallogr B Struct Sci Cryst Eng Mater; 2019 Jun; 75(Pt 3):434-441. PubMed ID: 32830665
    [TBL] [Abstract][Full Text] [Related]  

  • 13. The transannular interaction in [2.2]paracyclophane: repulsive or attractive?
    Lyssenko KA; Antipin MY; Antonov DY
    Chemphyschem; 2003 Aug; 4(8):817-23. PubMed ID: 12961978
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Rotational dynamics in a crystalline molecular gyroscope by variable-temperature 13C NMR, 2H NMR, X-ray diffraction, and force field calculations.
    Khuong TA; Dang H; Jarowski PD; Maverick EF; Garcia-Garibay MA
    J Am Chem Soc; 2007 Jan; 129(4):839-45. PubMed ID: 17243820
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Understanding thermodynamic properties at the molecular level: multiple temperature charge density study of ribitol and xylitol.
    Madsen AØ; Mattson R; Larsen S
    J Phys Chem A; 2011 Jul; 115(26):7794-804. PubMed ID: 21663326
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Host perturbation in a β-hydroquinone clathrate studied by combined X-ray/neutron charge-density analysis: implications for molecular inclusion in supramolecular entities.
    Clausen HF; Jørgensen MR; Cenedese S; Schmøkel MS; Christensen M; Chen YS; Koutsantonis G; Overgaard J; Spackman MA; Iversen BB
    Chemistry; 2014 Jun; 20(26):8089-98. PubMed ID: 24828367
    [TBL] [Abstract][Full Text] [Related]  

  • 17. The charge density of urea from synchrotron diffraction data.
    Birkedal H; Madsen D; Mathiesen RH; Knudsen K; Weber HP; Pattison P; Schwarzenbach D
    Acta Crystallogr A; 2004 Sep; 60(Pt 5):371-81. PubMed ID: 15477674
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Specific heat of molecular crystals from atomic mean square displacements with the Einstein, Debye, and Nernst-Lindemann models.
    Aree T; Bürgi HB
    J Phys Chem B; 2006 Dec; 110(51):26129-34. PubMed ID: 17181267
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Nanosized (mu12-Pt)Pd164-xPtx(CO)72(PPh3)20 (x approximately 7) containing Pt-centered four-shell 165-atom Pd-Pt core with unprecedented intershell bridging carbonyl ligands: comparative analysis of icosahedral shell-growth patterns with geometrically related Pd145(CO)x(PEt3)30 (x approximately 60) containing capped three-shell Pd145 core.
    Mednikov EG; Jewell MC; Dahl LF
    J Am Chem Soc; 2007 Sep; 129(37):11619-30. PubMed ID: 17722929
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Improvement of anisotropic displacement parameters from invariom-model refinements for three L-hydroxylysine structures.
    Dittrich B; McKinnon JJ; Warren JE
    Acta Crystallogr B; 2008 Dec; 64(Pt 6):750-9. PubMed ID: 19029704
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.