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 *

301 related articles for article (PubMed ID: 21777012)

  • 1. Intramolecular hydrogen bonds: the QTAIM and ELF characteristics.
    Fuster F; Grabowski SJ
    J Phys Chem A; 2011 Sep; 115(35):10078-86. PubMed ID: 21777012
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Electron density characteristics in bond critical point (QTAIM) versus interaction energy components (SAPT): the case of charge-assisted hydrogen bonding.
    Bankiewicz B; Matczak P; Palusiak M
    J Phys Chem A; 2012 Jan; 116(1):452-9. PubMed ID: 22175651
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Transition from moderate to strong hydrogen bonds: its identification and physical bases in the case of O-H...O intramolecular hydrogen bonds.
    Mariam YH; Musin RN
    J Phys Chem A; 2008 Jan; 112(1):134-45. PubMed ID: 18067277
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Intramolecular double proton transfer from 2-hydroxy-2-iminoacetic acid to 2-amino-2-oxoacetic acid.
    Bankiewicz B; Wojtulewski S; Grabowski SJ
    J Org Chem; 2010 Mar; 75(5):1419-26. PubMed ID: 20136101
    [TBL] [Abstract][Full Text] [Related]  

  • 5. pi-H...O hydrogen bonds: multicenter covalent pi-H interaction acts as the proton-donating system.
    Grabowski SJ
    J Phys Chem A; 2007 Dec; 111(51):13537-43. PubMed ID: 18052265
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Characteristics of X-H···π interactions: ab initio and QTAIM studies.
    Grabowski SJ; Lipkowski P
    J Phys Chem A; 2011 May; 115(18):4765-73. PubMed ID: 21491882
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. Dimers of formic acid, acetic acid, formamide and pyrrole-2-carboxylic acid: an ab initio study.
    Gora RW; Grabowski SJ; Leszczynski J
    J Phys Chem A; 2005 Jul; 109(29):6397-405. PubMed ID: 16833984
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Basis set and method dependence in quantum theory of atoms in molecules calculations for covalent bonds.
    Jabłoński M; Palusiak M
    J Phys Chem A; 2010 Dec; 114(47):12498-505. PubMed ID: 21049895
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Intramolecular H-bonds: DFT and QTAIM studies on 3-(aminomethylene)pyran-2,4-dione and its derivatives.
    Grabowski SJ; Małecka M
    J Phys Chem A; 2006 Oct; 110(42):11847-54. PubMed ID: 17048816
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Cooperativity in hydrogen-bonded interactions: ab initio and "atoms in molecules" analyses.
    Ziółkowski M; Grabowski SJ; Leszczynski J
    J Phys Chem A; 2006 May; 110(20):6514-21. PubMed ID: 16706409
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Intramolecular hydrogen bonds in canonical 2'-deoxyribonucleotides: an atoms in molecules study.
    Shishkin OV; Palamarchuk GV; Gorb L; Leszczynski J
    J Phys Chem B; 2006 Mar; 110(9):4413-22. PubMed ID: 16509743
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Homonuclear versus heteronuclear resonance-assisted hydrogen bonds: tautomerism, aromaticity, and intramolecular hydrogen bonding in heterocyclic systems with different exocyclic proton donor/acceptor.
    Zubatyuk RI; Shishkin OV; Gorb L; Leszczynski J
    J Phys Chem A; 2009 Mar; 113(12):2943-52. PubMed ID: 19296712
    [TBL] [Abstract][Full Text] [Related]  

  • 14. QTAIM study of strong H-bonds with the O-H...a fragment (A=O, N) in three-dimensional periodical crystals.
    Vener MV; Manaev AV; Egorova AN; Tsirelson VG
    J Phys Chem A; 2007 Feb; 111(6):1155-62. PubMed ID: 17253671
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Red- and blue-shifted hydrogen bonds: the Bent rule from quantum theory of atoms in molecules perspective.
    Grabowski SJ
    J Phys Chem A; 2011 Nov; 115(45):12789-99. PubMed ID: 21830803
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Hydrogen-hydrogen bonds in highly branched alkanes and in alkane complexes: A DFT, ab initio, QTAIM, and ELF study.
    Monteiro NK; Firme CL
    J Phys Chem A; 2014 Mar; 118(9):1730-40. PubMed ID: 24533436
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Interplay between hydrogen-bond formation and multicenter pi-electron delocalization: intramolecular hydrogen bonds.
    Lenain P; Mandado M; Mosquera RA; Bultinck P
    J Phys Chem A; 2008 Oct; 112(42):10689-96. PubMed ID: 18821741
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Relationship between the critical points found by the electron localization function and atoms in molecules approaches in adducts with hydrogen bonds.
    Navarrete-López AM; Garza J; Vargas R
    J Phys Chem A; 2007 Nov; 111(43):11147-52. PubMed ID: 17918813
    [TBL] [Abstract][Full Text] [Related]  

  • 19. The two faces of hydrogen-bond strength on triple AAA-DDD arrays.
    Lopez AH; Caramori GF; Coimbra DF; Parreira RL; da Silva ÉH
    Chemphyschem; 2013 Dec; 14(17):3994-4001. PubMed ID: 24288287
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Quantification of hydrogen bond energy based on equations using spectroscopic, structural, QTAIM-based, and NBO-based descriptors which calibrated by the molecular tailoring approach.
    Afonin AV; Rusinska-Roszak D
    J Mol Model; 2023 Dec; 30(1):18. PubMed ID: 38159168
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 16.