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 *

213 related articles for article (PubMed ID: 25956100)

  • 1. Direct non-Born-Oppenheimer variational calculations of all bound vibrational states corresponding to the first rotational excitation of D2 performed with explicitly correlated all-particle Gaussian functions.
    Sharkey KL; Kirnosov N; Adamowicz L
    J Chem Phys; 2015 May; 142(17):174307. PubMed ID: 25956100
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Charge asymmetry in rovibrationally excited HD+ determined using explicitly correlated all-particle Gaussian functions.
    Kirnosov N; Sharkey KL; Adamowicz L
    J Chem Phys; 2013 Nov; 139(20):204105. PubMed ID: 24289342
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Accurate potential energy curve of the LiH+ molecule calculated with explicitly correlated Gaussian functions.
    Tung WC; Adamowicz L
    J Chem Phys; 2014 Mar; 140(12):124315. PubMed ID: 24697449
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Molecular structure calculations: a unified quantum mechanical description of electrons and nuclei using explicitly correlated Gaussian functions and the global vector representation.
    Mátyus E; Reiher M
    J Chem Phys; 2012 Jul; 137(2):024104. PubMed ID: 22803525
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Charge asymmetry in the rovibrationally excited HD molecule.
    Kirnosov N; Sharkey K; Adamowicz L
    J Chem Phys; 2014 Mar; 140(10):104115. PubMed ID: 24628160
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Computer program ATOM-MOL-nonBO for performing calculations of ground and excited states of atoms and molecules without assuming the Born-Oppenheimer approximation using all-particle complex explicitly correlated Gaussian functions.
    Bubin S; Adamowicz L
    J Chem Phys; 2020 May; 152(20):204102. PubMed ID: 32486658
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Charge asymmetry in pure vibrational states of the HD molecule.
    Bubin S; Leonarski F; Stanke M; Adamowicz L
    J Chem Phys; 2009 Mar; 130(12):124120. PubMed ID: 19334821
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Calculations of the ground states of BeH and BeH+ without the Born-Oppenheimer approximation.
    Bubin S; Adamowicz L
    J Chem Phys; 2007 Jun; 126(21):214305. PubMed ID: 17567194
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Non-Born-Oppenheimer calculations of the BH molecule.
    Bubin S; Stanke M; Adamowicz L
    J Chem Phys; 2009 Jul; 131(4):044128. PubMed ID: 19655858
    [TBL] [Abstract][Full Text] [Related]  

  • 10. An algorithm for non-Born-Oppenheimer quantum mechanical variational calculations of N = 1 rotationally excited states of diatomic molecules using all-particle explicitly correlated Gaussian functions.
    Sharkey KL; Kirnosov N; Adamowicz L
    J Chem Phys; 2013 Oct; 139(16):164119. PubMed ID: 24182016
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Accurate non-Born-Oppenheimer calculations of the complete pure vibrational spectrum of D2 with including relativistic corrections.
    Bubin S; Stanke M; Adamowicz L
    J Chem Phys; 2011 Aug; 135(7):074110. PubMed ID: 21861559
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Analytical energy gradient used in variational Born-Oppenheimer calculations with all-electron explicitly correlated Gaussian functions for molecules containing one π electron.
    Tung WC; Pavanello M; Sharkey KL; Kirnosov N; Adamowicz L
    J Chem Phys; 2013 Mar; 138(12):124101. PubMed ID: 23556703
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Non-Born-Oppenheimer variational calculation of the ground-state vibrational spectrum of LiH+.
    Bubin S; Adamowicz L
    J Chem Phys; 2006 Aug; 125(6):64309. PubMed ID: 16942288
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Non-Born-Oppenheimer calculations of the pure vibrational spectrum of HeH+.
    Pavanello M; Bubin S; Molski M; Adamowicz L
    J Chem Phys; 2005 Sep; 123(10):104306. PubMed ID: 16178596
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Assessment of the accuracy the experimental energies of the 1P(o) 1s(2)2s6p and 1s(2)2s7p states of 9Be based on variational calculations with explicitly correlated Gaussians.
    Bubin S; Adamowicz L
    J Chem Phys; 2012 Sep; 137(10):104315. PubMed ID: 22979867
    [TBL] [Abstract][Full Text] [Related]  

  • 16. On the calculation of resonances in pre-Born-Oppenheimer molecular structure theory.
    Mátyus E
    J Phys Chem A; 2013 Aug; 117(32):7195-206. PubMed ID: 23675889
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Matrix elements of N-particle explicitly correlated Gaussian basis functions with complex exponential parameters.
    Bubin S; Adamowicz L
    J Chem Phys; 2006 Jun; 124(22):224317. PubMed ID: 16784284
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Explicitly correlated Gaussian calculations of the 2P(o) Rydberg spectrum of the lithium atom.
    Bubin S; Adamowicz L
    J Chem Phys; 2012 Apr; 136(13):134305. PubMed ID: 22482550
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Prediction of 2D Rydberg energy levels of 6Li and 7Li based on very accurate quantum mechanical calculations performed with explicitly correlated Gaussian functions.
    Bubin S; Sharkey KL; Adamowicz L
    J Chem Phys; 2013 Apr; 138(16):164308. PubMed ID: 23635139
    [TBL] [Abstract][Full Text] [Related]  

  • 20. A comparison of two types of explicitly correlated Gaussian functions for non-Born-Oppenheimer molecular calculations using a model potential.
    Formanek M; Sharkey KL; Kirnosov N; Adamowicz L
    J Chem Phys; 2014 Oct; 141(15):154103. PubMed ID: 25338877
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.