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 *

258 related articles for article (PubMed ID: 16686523)

  • 21. Imaging momentum orbital densities of conformationally versatile molecules: a benchmark theoretical study of the molecular and electronic structures of dimethoxymethane.
    Huang YR; Knippenberg S; Hajgató B; François JP; Deng JK; Deleuze MS
    J Phys Chem A; 2007 Jul; 111(26):5879-97. PubMed ID: 17566995
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Solvation and hydrogen bonding in alanine- and glycine-containing dipeptides probed using solution- and solid-state NMR spectroscopy.
    Bhate MP; Woodard JC; Mehta MA
    J Am Chem Soc; 2009 Jul; 131(27):9579-89. PubMed ID: 19537718
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Spin-spin contributions to the zero-field splitting tensor in organic triplets, carbenes and biradicals-a density functional and ab initio study.
    Sinnecker S; Neese F
    J Phys Chem A; 2006 Nov; 110(44):12267-75. PubMed ID: 17078624
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Molecule intrinsic minimal basis sets. II. Bonding analyses for Si4H6 and Si2 to Si10.
    Lu WC; Wang CZ; Schmidt MW; Bytautas L; Ho KM; Ruedenberg K
    J Chem Phys; 2004 Feb; 120(6):2638-51. PubMed ID: 15268407
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Time-dependent density functional theory molecular dynamics simulations of liquid water radiolysis.
    Tavernelli I; Gaigeot MP; Vuilleumier R; Stia C; Hervé du Penhoat MA; Politis MF
    Chemphyschem; 2008 Oct; 9(14):2099-103. PubMed ID: 18792898
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Theoretical and experimental study of valence photoelectron spectrum of D,L-alanine amino acid.
    Farrokhpour H; Fathi F; De Brito AN
    J Phys Chem A; 2012 Jul; 116(26):7004-15. PubMed ID: 22720731
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Dyson orbitals for ionization from the ground and electronically excited states within equation-of-motion coupled-cluster formalism: theory, implementation, and examples.
    Oana CM; Krylov AI
    J Chem Phys; 2007 Dec; 127(23):234106. PubMed ID: 18154374
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Valence Virtual Orbitals: An Unambiguous ab Initio Quantification of the LUMO Concept.
    Schmidt MW; Hull EA; Windus TL
    J Phys Chem A; 2015 Oct; 119(41):10408-27. PubMed ID: 26430954
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Benchmark Dyson orbital study of the ionization spectrum and electron momentum distributions of ethanol in conformational equilibrium.
    Morini F; Hajgató B; Deleuze MS; Ning CG; Deng JK
    J Phys Chem A; 2008 Sep; 112(38):9083-96. PubMed ID: 18759421
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Quantum chemical study of conformational fingerprints in the photoelectron spectra and (e, 2e) electron momentum distributions of n-hexane.
    Morini F; Knippenberg S; Deleuze MS; Hajgató B
    J Phys Chem A; 2010 Apr; 114(12):4400-17. PubMed ID: 20201545
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Methylation of zebularine investigated using density functional theory calculations.
    Selvam L; Chen FF; Wang F
    J Comput Chem; 2011 Jul; 32(10):2077-83. PubMed ID: 21541952
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Characterization of the conformational probability of N-acetyl-phenylalanyl-NH2 by RHF, DFT, and MP2 computation and AIM analyses, confirmed by jet-cooled infrared data.
    Chass GA; Mirasol RS; Setiadi DH; Tang TH; Chin W; Mons M; Dimicoli I; Dognon JP; Viskolcz B; Lovas S; Penke B; Csizmadia IG
    J Phys Chem A; 2005 Jun; 109(24):5289-302. PubMed ID: 16839052
    [TBL] [Abstract][Full Text] [Related]  

  • 33. DFT studies using supercells and projector-augmented waves for structure, energetics, and dynamics of glycine, alanine, and cysteine.
    Maul R; Ortmann F; Preuss M; Hannewald K; Bechstedt F
    J Comput Chem; 2007 Aug; 28(11):1817-33. PubMed ID: 17394241
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Influence of ionization on the conformational preferences of peptide models. Ramachandran surfaces of N-formyl-glycine amide and N-formyl-alanine amide radical cations.
    Gil A; Sodupe M; Bertran J
    J Comput Chem; 2009 Sep; 30(12):1771-84. PubMed ID: 19090571
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Vibrational analysis of glycine radical: a comparative ab initio static and dynamic study.
    Carbonniere P; Dargelos A; Ciofini I; Adamo C; Pouchan C
    Phys Chem Chem Phys; 2009 Jun; 11(21):4375-84. PubMed ID: 19458841
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Electron momentum spectroscopy of norbornadiene at the benchmark ADC(3) level.
    Morini F; Hajgató B; Deleuze MS
    J Phys Chem A; 2010 Sep; 114(34):9374-87. PubMed ID: 20690625
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Intramolecular interactions of L-phenylalanine revealed by inner shell chemical shift.
    Ganesan A; Wang F
    J Chem Phys; 2009 Jul; 131(4):044321. PubMed ID: 19655881
    [TBL] [Abstract][Full Text] [Related]  

  • 38. L-alanine in a droplet of water: a density-functional molecular dynamics study.
    Degtyarenko IM; Jalkanen KJ; Gurtovenko AA; Nieminen RM
    J Phys Chem B; 2007 Apr; 111(16):4227-34. PubMed ID: 17407339
    [TBL] [Abstract][Full Text] [Related]  

  • 39. The outer valance orbital electron densities of cyclopentane by binary (e,2e) spectroscopy.
    Deng JK; Li GQ; Wang F; Su GL; Ning CG; Zhang T; Ren XG; Wang Y; Zheng Y
    J Chem Phys; 2004 Jun; 120(21):10009-14. PubMed ID: 15268021
    [TBL] [Abstract][Full Text] [Related]  

  • 40. General orbital invariant MP2-F12 theory.
    Werner HJ; Adler TB; Manby FR
    J Chem Phys; 2007 Apr; 126(16):164102. PubMed ID: 17477584
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 13.