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.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Journal Abstract Search

181 related items for PubMed ID: 25416880

  • 1. Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. IV. The automatic implementation of the Hessian based VBSCF method.
    Chen X, Chen Z, Wu W.
    J Chem Phys; 2014 Nov 21; 141(19):194113. PubMed ID: 25416880
    [Abstract] [Full Text] [Related]

  • 2. Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. II. An efficient algorithm for matrix elements and analytical energy gradients in VBSCF method.
    Chen Z, Chen X, Wu W.
    J Chem Phys; 2013 Apr 28; 138(16):164120. PubMed ID: 23635124
    [Abstract] [Full Text] [Related]

  • 3. Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. I. Hamiltonian matrix elements between internally contracted excited valence bond wave functions.
    Chen Z, Chen X, Wu W.
    J Chem Phys; 2013 Apr 28; 138(16):164119. PubMed ID: 23635123
    [Abstract] [Full Text] [Related]

  • 4. A quadratically convergent VBSCF method.
    Rashid Z, van Lenthe JH.
    J Chem Phys; 2013 Feb 07; 138(5):054105. PubMed ID: 23406096
    [Abstract] [Full Text] [Related]

  • 5.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 6.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 7. Nonorthogonal orbital based n-body reduced density matrices and their applications to valence bond theory. III. Second-order perturbation theory using valence bond self-consistent field function as reference.
    Chen Z, Chen X, Ying F, Gu J, Zhang H, Wu W.
    J Chem Phys; 2014 Oct 07; 141(13):134118. PubMed ID: 25296795
    [Abstract] [Full Text] [Related]

  • 8. An efficient algorithm for energy gradients and orbital optimization in valence bond theory.
    Song L, Song J, Mo Y, Wu W.
    J Comput Chem; 2009 Feb 07; 30(3):399-406. PubMed ID: 18629879
    [Abstract] [Full Text] [Related]

  • 9.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 10. Quadratically convergent algorithm for orbital optimization in the orbital-optimized coupled-cluster doubles method and in orbital-optimized second-order Møller-Plesset perturbation theory.
    Bozkaya U, Turney JM, Yamaguchi Y, Schaefer HF, Sherrill CD.
    J Chem Phys; 2011 Sep 14; 135(10):104103. PubMed ID: 21932872
    [Abstract] [Full Text] [Related]

  • 11. XMVB: a program for ab initio nonorthogonal valence bond computations.
    Song L, Mo Y, Zhang Q, Wu W.
    J Comput Chem; 2005 Apr 15; 26(5):514-21. PubMed ID: 15704237
    [Abstract] [Full Text] [Related]

  • 12.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 13.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 14.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 15. Resonance and aromaticity: an ab initio valence bond approach.
    Rashid Z, van Lenthe JH, Havenith RW.
    J Phys Chem A; 2012 May 17; 116(19):4778-88. PubMed ID: 22559175
    [Abstract] [Full Text] [Related]

  • 16.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 17. Novel implementation of seniority number truncated valence bond methods with applications to H22 chain.
    Zhou C, Zeng C, Ma B, Ying F, Chen Z, Wu W.
    J Chem Phys; 2019 Nov 21; 151(19):194107. PubMed ID: 31757129
    [Abstract] [Full Text] [Related]

  • 18.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 19. Conical Intersection Optimization Based on a Double Newton-Raphson Algorithm Using Composed Steps.
    Ruiz-Barragan S, Robb MA, Blancafort L.
    J Chem Theory Comput; 2013 Mar 12; 9(3):1433-42. PubMed ID: 26587605
    [Abstract] [Full Text] [Related]

  • 20. Seniority Number in Valence Bond Theory.
    Chen Z, Zhou C, Wu W.
    J Chem Theory Comput; 2015 Sep 08; 11(9):4102-8. PubMed ID: 26575906
    [Abstract] [Full Text] [Related]

    Page: [Next] [New Search]
    of 10.