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 *

127 related articles for article (PubMed ID: 31276407)

  • 1. Infrared Intensification and Hydrogen Bond Stabilization: Beyond Point Charges.
    Duarte LJ; Silva AF; Richter WE; Bruns RE
    J Phys Chem A; 2019 Aug; 123(30):6482-6490. PubMed ID: 31276407
    [TBL] [Abstract][Full Text] [Related]  

  • 2. An atom in molecules study of infrared intensity enhancements in fundamental donor stretching bands in hydrogen bond formation.
    Terrabuio LA; Richter WE; Silva AF; Bruns RE; Haiduke RL
    Phys Chem Chem Phys; 2014 Dec; 16(45):24920-8. PubMed ID: 25325528
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Atomic polarizations necessary for coherent infrared intensity modeling with theoretical calculations.
    Richter WE; Silva AF; Bruns RE
    J Chem Phys; 2017 Apr; 146(13):134107. PubMed ID: 28390371
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Quantum theory of atoms in molecules/charge-charge flux-dipole flux models for fundamental vibrational intensity changes on H-bond formation of water and hydrogen fluoride.
    Silva AF; Richter WE; Terrabuio LA; Haiduke RL; Bruns RE
    J Chem Phys; 2014 Feb; 140(8):084306. PubMed ID: 24588168
    [TBL] [Abstract][Full Text] [Related]  

  • 5. A Charge-Charge Flux-Dipole Flux Analysis of Simple Molecular Systems with Halogen Bonds.
    Martins Filho PEC; Haiduke RLA
    J Phys Chem A; 2024 Mar; 128(11):2058-2071. PubMed ID: 38457530
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Correlation of ν(OH) spectral shifts of phenol-benzene O-H···π hydrogen-bonded complexes with donor's acidity: a combined matrix isolation, infrared spectroscopy, and quantum chemistry study.
    Banerjee P; Chakraborty T
    J Phys Chem A; 2014 Aug; 118(34):7074-84. PubMed ID: 25068515
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Atomic charge and atomic dipole modeling of gas-phase infrared intensities of fundamental bands for out-of-plane CH and CF bending vibrations.
    Richter WE; Duarte LJ; Bruns RE
    Spectrochim Acta A Mol Biomol Spectrosc; 2021 Apr; 251():119393. PubMed ID: 33450451
    [TBL] [Abstract][Full Text] [Related]  

  • 8. An atomic charge-charge flux-dipole flux atom-in-molecule decomposition for molecular dipole-moment derivatives and infrared fundamental intensities.
    Haiduke RL; Bruns RE
    J Phys Chem A; 2005 Mar; 109(11):2680-8. PubMed ID: 16833574
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Electronic Distribution of S
    Duarte LJ; Bruns RE
    J Chem Theory Comput; 2022 Apr; 18(4):2437-2447. PubMed ID: 35258284
    [TBL] [Abstract][Full Text] [Related]  

  • 10. An ab initio study of the C2H2-HF, C2H(CH3)-HF and C2(CH3)2-HF hydrogen-bonded complexes.
    Ramos MN; Lopes KC; Silva WL; Tavares AM; Castriani FA; do Monte SA; Ventura E; Araújo RC
    Spectrochim Acta A Mol Biomol Spectrosc; 2006 Feb; 63(2):383-90. PubMed ID: 16427352
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Quantum theory of atoms in molecules charge-charge flux-dipole flux models for the infrared intensities of X(2)CY (X = H, F, Cl; Y = O, S) molecules.
    Faria SH; da Silva JV; Haiduke RL; Vidal LN; Vazquez PA; Bruns RE
    J Phys Chem A; 2007 Aug; 111(32):7870-5. PubMed ID: 17616111
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Atomic dipole polarization in charge-transfer complexes with halogen bonding.
    Bartashevich EV; Tsirelson VG
    Phys Chem Chem Phys; 2013 Feb; 15(7):2530-8. PubMed ID: 23322002
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Atomic Polarizations, Not Charges, Determine CH Out-of-Plane Bending Intensities of Benzene Molecules.
    Duarte LJ; Bruns RE
    J Phys Chem A; 2018 Dec; 122(51):9833-9841. PubMed ID: 30495956
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Acid-Base Formalism Extended to Excited State for O-H···S Hydrogen Bonding Interaction.
    Bhattacharyya S; Roy VP; Wategaonkar S
    J Phys Chem A; 2016 Sep; 120(35):6902-16. PubMed ID: 27529293
    [TBL] [Abstract][Full Text] [Related]  

  • 15. HC[triple bond]P and H3C-C[triple bond]P as proton acceptors in protonated complexes containing two phosphorus bases: structures, binding energies, and spin-spin coupling constants.
    Alkorta I; Elguero J; Bene JE
    J Phys Chem A; 2007 Oct; 111(39):9924-30. PubMed ID: 17760429
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Quantum Theory of Atoms in Molecules Charge-Charge Transfer-Dipolar Polarization Classification of Infrared Intensities.
    Duarte LJ; Richter WE; Silva AF; Bruns RE
    J Phys Chem A; 2017 Oct; 121(42):8115-8123. PubMed ID: 28968500
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A theoretical systematic study of a series of isocyanopolyynes.
    Vichietti RM; Haiduke RL
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Oct; 114():197-204. PubMed ID: 23770509
    [TBL] [Abstract][Full Text] [Related]  

  • 18. QTAIM charge-charge flux-dipole flux interpretation of electronegativity and potential models of the fluorochloromethane mean dipole moment derivatives.
    Silva AF; da Silva JV; Haiduke RL; Bruns RE
    J Phys Chem A; 2011 Nov; 115(45):12572-81. PubMed ID: 21736290
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Intramolecular resonance-assisted hydrogen bonds: a theoretical description by means of atomic charges and charge fluxes.
    Baranović G
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan; 117():465-72. PubMed ID: 24013678
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Vibrational spectroscopic properties of hydrogen bonded acetonitrile studied by DFT.
    Alía JM; Edwards HG
    J Phys Chem A; 2005 Sep; 109(35):7977-87. PubMed ID: 16834180
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.