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 *

305 related articles for article (PubMed ID: 25726765)

  • 1. "Plug and play" full-dimensional ab initio potential energy and dipole moment surfaces and anharmonic vibrational analysis for CH4-H2O.
    Qu C; Conte R; Houston PL; Bowman JM
    Phys Chem Chem Phys; 2015 Mar; 17(12):8172-81. PubMed ID: 25726765
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Two-component, ab initio potential energy surface for CO
    Wang QK; Bowman JM
    J Chem Phys; 2017 Oct; 147(16):161714. PubMed ID: 29096492
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Ab initio potential energy and dipole moment surfaces of (H2O)2.
    Huang X; Braams BJ; Bowman JM
    J Phys Chem A; 2006 Jan; 110(2):445-51. PubMed ID: 16405316
    [TBL] [Abstract][Full Text] [Related]  

  • 4. MULTIMODE quantum calculations of vibrational energies and IR spectrum of the NO⁺(H₂O) cluster using accurate potential energy and dipole moment surfaces.
    Homayoon Z
    J Chem Phys; 2014 Sep; 141(12):124311. PubMed ID: 25273441
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Flexible, ab initio potential, and dipole moment surfaces for water. I. Tests and applications for clusters up to the 22-mer.
    Wang Y; Huang X; Shepler BC; Braams BJ; Bowman JM
    J Chem Phys; 2011 Mar; 134(9):094509. PubMed ID: 21384987
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Full-dimensional, high-level ab initio potential energy surfaces for H2(H2O) and H2(H2O)2 with application to hydrogen clathrate hydrates.
    Homayoon Z; Conte R; Qu C; Bowman JM
    J Chem Phys; 2015 Aug; 143(8):084302. PubMed ID: 26328838
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Full-dimensional, ab initio potential energy and dipole moment surfaces for water.
    Wang Y; Shepler BC; Braams BJ; Bowman JM
    J Chem Phys; 2009 Aug; 131(5):054511. PubMed ID: 19673578
    [TBL] [Abstract][Full Text] [Related]  

  • 8. High-dimensional fitting of sparse datasets of CCSD(T) electronic energies and MP2 dipole moments, illustrated for the formic acid dimer and its complex IR spectrum.
    Qu C; Bowman JM
    J Chem Phys; 2018 Jun; 148(24):241713. PubMed ID: 29960304
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Permutationally Invariant Fitting of Many-Body, Non-covalent Interactions with Application to Three-Body Methane-Water-Water.
    Conte R; Qu C; Bowman JM
    J Chem Theory Comput; 2015 Apr; 11(4):1631-8. PubMed ID: 26574372
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Ab initio potential energy and dipole moment surfaces of the F(-)(H2O) complex.
    Kamarchik E; Toffoli D; Christiansen O; Bowman JM
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Feb; 119():59-62. PubMed ID: 23756053
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Communication: A new ab initio potential energy surface for HCl-H2O, diffusion Monte Carlo calculations of D0 and a delocalized zero-point wavefunction.
    Mancini JS; Bowman JM
    J Chem Phys; 2013 Mar; 138(12):121102. PubMed ID: 23556702
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Five ab initio potential energy and dipole moment surfaces for hydrated NaCl and NaF. I. Two-body interactions.
    Wang Y; Bowman JM; Kamarchik E
    J Chem Phys; 2016 Mar; 144(11):114311. PubMed ID: 27004880
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Ab initio potential energy and dipole moment surfaces for H5O2 +.
    Huang X; Braams BJ; Bowman JM
    J Chem Phys; 2005 Jan; 122(4):44308. PubMed ID: 15740249
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Accurate ab initio structure, dissociation energy, and vibrational spectroscopy of the F(-)-CH4 anion complex.
    Czakó G; Braams BJ; Bowman JM
    J Phys Chem A; 2008 Aug; 112(32):7466-72. PubMed ID: 18651724
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Ab Initio Potential for H
    Yu Q; Bowman JM
    J Chem Theory Comput; 2016 Nov; 12(11):5284-5292. PubMed ID: 27673756
    [TBL] [Abstract][Full Text] [Related]  

  • 16. An ab initio potential energy surface for the formic acid dimer: zero-point energy, selected anharmonic fundamental energies, and ground-state tunneling splitting calculated in relaxed 1-4-mode subspaces.
    Qu C; Bowman JM
    Phys Chem Chem Phys; 2016 Sep; 18(36):24835-24840. PubMed ID: 27722444
    [TBL] [Abstract][Full Text] [Related]  

  • 17. The calculated infrared spectrum of Cl-H2O using a new full dimensional ab initio potential surface and dipole moment surface.
    Rheinecker J; Bowman JM
    J Chem Phys; 2006 Oct; 125(13):133206. PubMed ID: 17029453
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Quantum calculations of the IR spectrum of liquid water using ab initio and model potential and dipole moment surfaces and comparison with experiment.
    Liu H; Wang Y; Bowman JM
    J Chem Phys; 2015 May; 142(19):194502. PubMed ID: 26001464
    [TBL] [Abstract][Full Text] [Related]  

  • 19. The calculated infrared spectrum of Cl- H2O using a full dimensional ab initio potential surface and dipole moment surface.
    Rheinecker JL; Bowman JM
    J Chem Phys; 2006 Apr; 124(13):131102. PubMed ID: 16613440
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Highly accurate potential-energy and dipole moment surfaces for vibrational state calculations of methane.
    Oyanagi C; Yagi K; Taketsugu T; Hirao K
    J Chem Phys; 2006 Feb; 124(6):64311. PubMed ID: 16483211
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 16.