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 *

170 related articles for article (PubMed ID: 35478783)

  • 1. In acid-aminopyrimidine continuum: experimental and computational studies of furan tetracarboxylate-2-aminopyrimidinium salt.
    Garg U; Azim Y; Alam M
    RSC Adv; 2021 Jun; 11(35):21463-21474. PubMed ID: 35478783
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Halogen Interactions in Halogenated Oxindoles: Crystallographic and Computational Investigations of Intermolecular Interactions.
    Silva RAL; da Silva Filho DA; Moberg ME; Pappenfus TM; Janzen DE
    Molecules; 2021 Sep; 26(18):. PubMed ID: 34576963
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Insights into structural, spectroscopic, and hydrogen bonding interaction patterns of nicotinamide-oxalic acid (form I) salt by using experimental and theoretical approaches.
    Verma P; Srivastava A; Tandon P; Shimpi MR
    Front Chem; 2023; 11():1203278. PubMed ID: 37476653
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Efficient Synthesis of Imine-Carboxylic Acid Functionalized Compounds: Single Crystal, Hirshfeld Surface and Quantum Chemical Exploration.
    Tahir MN; Ali A; Khalid M; Ashfaq M; Naveed M; Murtaza S; Shafiq I; Asghar MA; Orfali R; Perveen S
    Molecules; 2023 Mar; 28(7):. PubMed ID: 37049730
    [TBL] [Abstract][Full Text] [Related]  

  • 5. The salt-cocrystal continuum: the influence of crystal structure on ionization state.
    Childs SL; Stahly GP; Park A
    Mol Pharm; 2007; 4(3):323-38. PubMed ID: 17461597
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Experimental and Quantum Chemical Studies of Nicotinamide-Oxalic Acid Salt: Hydrogen Bonding, AIM and NBO Analysis.
    Verma P; Srivastava A; Tandon P; Shimpi MR
    Front Chem; 2022; 10():855132. PubMed ID: 35372271
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Analytic gradient for second order Møller-Plesset perturbation theory with the polarizable continuum model based on the fragment molecular orbital method.
    Nagata T; Fedorov DG; Li H; Kitaura K
    J Chem Phys; 2012 May; 136(20):204112. PubMed ID: 22667545
    [TBL] [Abstract][Full Text] [Related]  

  • 8. A DFT study on the structure activity relationship of the natural xanthotoxin-based pharmaceutical cocrystals.
    Yuan S; Yang Z; Shang C; Yang D; Wang Y; Qi H; Sun C; Wang L; Zhao X
    J Mol Model; 2022 May; 28(6):155. PubMed ID: 35579707
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Hydrogen bonding interactions in PN...HX complexes: DFT and ab initio studies of structure, properties and topology.
    Varadwaj PR
    J Mol Model; 2010 May; 16(5):965-74. PubMed ID: 19851795
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Quantum chemical computational studies on 5-(4-bromophenylamino)-2-methylsulfanylmethyl-2H-1,2,3-triazol-4-carboxylic acid ethyl ester.
    Tokatlı A; Ozen E; Ucun F; Bahçeli S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Mar; 78(3):1201-11. PubMed ID: 21247796
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. Synthesis, crystal structure, Hirshfeld surface analysis, energy frameworks and computational studies of Schiff base derivative.
    Chandini KM; Nagesh Khadri MJ; Amoghavarsha N; Sridhar MA; Khanum SA
    Heliyon; 2022 Aug; 8(8):e10047. PubMed ID: 36061005
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Syntheses, crystal structure, Hirshfeld surfaces, fluorescence properties, and DFT analysis of benzoic acid hydrazone Schiff bases.
    Alam MS; Lee DU
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jun; 145():563-574. PubMed ID: 25804368
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A computational study of the inclusion of β-cyclodextrin and nicotinic acid: DFT, DFT-D, NPA, NBO, QTAIM, and NCI-RDG studies.
    Belhouchet HR; Abbaz T; Bendjedou A; Gouasmia A; Villemin D
    J Mol Model; 2022 Oct; 28(11):348. PubMed ID: 36208396
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Ab Initio Calculations for Molecule-Surface Interactions with Chemical Accuracy.
    Sauer J
    Acc Chem Res; 2019 Dec; 52(12):3502-3510. PubMed ID: 31765121
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
    Pai CC; Li AH; Chao SD
    J Phys Chem A; 2007 Nov; 111(46):11922-9. PubMed ID: 17963367
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Preparation, Crystal Structure, Supramolecular Assembly, and DFT Studies of Two Organic Salts Bearing Pyridine and Pyrimidine.
    Malik AN; Tahir MN; Ali A; Ashfaq M; Ibrahim M; Kuznetsov AE; Assiri MA; Sameeh MY
    ACS Omega; 2023 Jul; 8(28):25034-25047. PubMed ID: 37483210
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. Spectroscopic and quantum chemical study of an alkaloid aristolochic acid I.
    Joshi BD; Srivastava A; Gupta V; Tandon P; Jain S
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Dec; 116():258-69. PubMed ID: 23954541
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.