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 *

115 related articles for article (PubMed ID: 36952668)

  • 1. TopIso3D
    Silva JF; Fabris GSL; Sambrano JR; Albuquerque AR; Maia AS
    J Chem Inf Model; 2023 Apr; 63(7):1999-2013. PubMed ID: 36952668
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Natural Bond Critical Point analysis: quantitative relationships between natural bond orbital-based and QTAIM-based topological descriptors of chemical bonding.
    Weinhold F
    J Comput Chem; 2012 Nov; 33(30):2440-9. PubMed ID: 22837020
    [TBL] [Abstract][Full Text] [Related]  

  • 3. OpenMX Viewer: A web-based crystalline and molecular graphical user interface program.
    Lee YT; Ozaki T
    J Mol Graph Model; 2019 Jun; 89():192-198. PubMed ID: 30908996
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Nitrofurantoin-melamine monohydrate (cocrystal hydrate): Probing the role of H-bonding on the structure and properties using quantum chemical calculations and vibrational spectroscopy.
    Khan E; Shukla A; Jhariya AN; Tandon P; Vangala VR
    Spectrochim Acta A Mol Biomol Spectrosc; 2019 Oct; 221():117170. PubMed ID: 31158769
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Topology of the Electron Density and of Its Laplacian from Periodic LCAO Calculations on
    Cossard A; Casassa S; Gatti C; Desmarais JK; Erba A
    Molecules; 2021 Jul; 26(14):. PubMed ID: 34299502
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Molecular structure, heteronuclear resonance assisted hydrogen bond analysis, chemical reactivity and first hyperpolarizability of a novel ethyl-4-{[(2,4-dinitrophenyl)-hydrazono]-ethyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate: a combined DFT and AIM approach.
    Singh RN; Kumar A; Tiwari RK; Rawat P; Baboo V; Verma D
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 92():295-304. PubMed ID: 22446779
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Theoretical analysis of the electronic properties of the sex pheromone and its analogue derivatives in the female processionary moth Thaumetopoea pytiocampa.
    Chamorro ER; Sequeira AF; Zalazar MF; Peruchena NM
    Bioorg Med Chem; 2008 Sep; 16(18):8535-45. PubMed ID: 18752964
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Molecular structure, spectral studies, intra and intermolecular interactions analyses in a novel ethyl 4-[3-(2-chloro-phenyl)-acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate and its dimer: A combined DFT and AIM approach.
    Singh RN; Baboo V; Rawat P; Kumar A; Verma D
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Aug; 94():288-301. PubMed ID: 22537939
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Theoretical aspects of binary and ternary complexes of aziridine···ammonia ruled by hydrogen bond strength.
    Oliveira BG; Araújo RC
    J Mol Model; 2012 Jun; 18(6):2845-54. PubMed ID: 22127607
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Molecular and crystal properties of ethyl 4,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate from experimental and theoretical electron densities.
    Tsirelson VG; Stash AI; Potemkin VA; Rykounov AA; Shutalev AD; Zhurova EA; Zhurov VV; Pinkerton AA; Gurskaya GV; Zavodnik VE
    Acta Crystallogr B; 2006 Aug; 62(Pt 4):676-88. PubMed ID: 16840817
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Molecular model with quantum mechanical bonding information.
    Bohórquez HJ; Boyd RJ; Matta CF
    J Phys Chem A; 2011 Nov; 115(45):12991-7. PubMed ID: 21894893
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Halogen bonds and other noncovalent interactions in the crystal structures of trans-1,2-diiodo alkenes: an ab initio and QTAIM study.
    Yuan Y; Mills MJL; Li F; Du Y; Wei J; Su W
    J Mol Model; 2020 Nov; 26(11):331. PubMed ID: 33150494
    [TBL] [Abstract][Full Text] [Related]  

  • 14. MoleCoolQt - a molecule viewer for charge-density research.
    Hübschle CB; Dittrich B
    J Appl Crystallogr; 2011 Feb; 44(Pt 1):238-240. PubMed ID: 22477783
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Spanning set of silica cluster isomer topologies from QTAIM.
    Jenkins S; Rong C; Kirk SR; Yin D; Liu S
    J Phys Chem A; 2011 Nov; 115(45):12503-11. PubMed ID: 21557588
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Rendering of quantum topological atoms and bonds.
    Rafat M; Devereux M; Popelier PL
    J Mol Graph Model; 2005 Oct; 24(2):111-20. PubMed ID: 15970447
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Can QTAIM topological parameters be a measure of hydrogen bonding strength?
    Mo Y
    J Phys Chem A; 2012 May; 116(21):5240-6. PubMed ID: 22574938
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Toward a consistent interpretation of the QTAIM: tortuous link between chemical bonds, interactions, and bond/line paths.
    Foroutan-Nejad C; Shahbazian S; Marek R
    Chemistry; 2014 Aug; 20(32):10140-52. PubMed ID: 24990224
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Towards understanding the decomposition/isomerism channels of stratospheric bromine species: ab initio and quantum topology study.
    Aziz SG; Alyoubi AO; Elroby SA; Osman OI; Hilal RH
    Int J Mol Sci; 2015 Mar; 16(4):6783-800. PubMed ID: 25815595
    [TBL] [Abstract][Full Text] [Related]  

  • 20. The nature of the chemical bond in oxyanionic crystals based on QTAIM topological analysis of electron densities.
    Korabel'nikov DV; Zhuravlev YN
    RSC Adv; 2019 Apr; 9(21):12020-12033. PubMed ID: 35516991
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.