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 *

249 related articles for article (PubMed ID: 20941739)

  • 1. Generation of Kekulé valence structures and the corresponding valence bond wave function.
    Rashid Z; van Lenthe JH
    J Comput Chem; 2011 Mar; 32(4):696-708. PubMed ID: 20941739
    [TBL] [Abstract][Full Text] [Related]  

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

  • 3. Valence bond perturbation theory. A valence bond method that incorporates perturbation theory.
    Chen Z; Song J; Shaik S; Hiberty PC; Wu W
    J Phys Chem A; 2009 Oct; 113(43):11560-9. PubMed ID: 19569658
    [TBL] [Abstract][Full Text] [Related]  

  • 4. An ab initio valence bond study on cyclopenta-fused naphthalenes and fluoranthenes.
    Havenith RW; van Lenthe JH; Jenneskens LW
    J Org Chem; 2005 May; 70(11):4484-9. PubMed ID: 15903329
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Valence-bond description of chemical reactions on Born-Oppenheimer molecular dynamics trajectories.
    Noguchi N; Nakano H
    J Chem Phys; 2009 Apr; 130(15):154309. PubMed ID: 19388748
    [TBL] [Abstract][Full Text] [Related]  

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

  • 7. Valence Bond Based Energy Decomposition Analysis Scheme and Its Application to Cation-π Interactions.
    Zhang Y; Chen S; Ying F; Su P; Wu W
    J Phys Chem A; 2018 Jul; 122(27):5886-5894. PubMed ID: 29901393
    [TBL] [Abstract][Full Text] [Related]  

  • 8. The electronic structure of inorganic benzenes: valence bond and ring-current descriptions.
    Engelberts JJ; Havenith RW; van Lenthe JH; Jenneskens LW; Fowler PW
    Inorg Chem; 2005 Jul; 44(15):5266-72. PubMed ID: 16022524
    [TBL] [Abstract][Full Text] [Related]  

  • 9. A valence bond study of the low-lying states of the NF molecule.
    Su P; Wu W; Shaik S; Hiberty PC
    Chemphyschem; 2008 Jul; 9(10):1442-52. PubMed ID: 18509836
    [TBL] [Abstract][Full Text] [Related]  

  • 10. The resonance energy of benzene: a revisit.
    Mo Y
    J Phys Chem A; 2009 Apr; 113(17):5163-9. PubMed ID: 19323538
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Algebraic Kekulé formulas for benzenoid hydrocarbons.
    Randić M
    J Chem Inf Comput Sci; 2004; 44(2):365-72. PubMed ID: 15032513
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Valence bond structures for three-electron three-center and four-electron three-center bonding units: some further examples.
    Harcourt RD
    J Phys Chem A; 2010 Aug; 114(33):8573-80. PubMed ID: 20136114
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Quantum Monte Carlo with Jastrow-valence-bond wave functions.
    Braïda B; Toulouse J; Caffarel M; Umrigar CJ
    J Chem Phys; 2011 Feb; 134(8):084108. PubMed ID: 21361528
    [TBL] [Abstract][Full Text] [Related]  

  • 14. An efficient algorithm for complete active space valence bond self-consistent field calculation.
    Song J; Chen Z; Shaik S; Wu W
    J Comput Chem; 2013 Jan; 34(1):38-48. PubMed ID: 22961819
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Bonding Conundrums in the C2 Molecule: A Valence Bond Study.
    Su P; Wu J; Gu J; Wu W; Shaik S; Hiberty PC
    J Chem Theory Comput; 2011 Jan; 7(1):121-30. PubMed ID: 26606225
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Polytrifluoromethylation versus polyfluorination of the isomers of Kekulé benzene and phenol: a theoretical study.
    Lipping L; Koppel I; Koppel IA; Kolomeitsev A; Röschenthaler GV; Leito I
    J Org Chem; 2010 Oct; 75(19):6436-44. PubMed ID: 20806982
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Bond order and valence indices: a personal account.
    Mayer I
    J Comput Chem; 2007 Jan; 28(1):204-21. PubMed ID: 17066501
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Accounting for the differences in the structures and relative energies of the highly homoatomic np pi-np pi (n > or = 3)-bonded S2I4 2+, the Se-I pi-bonded Se2I4 2+, and their higher-energy isomers by AIM, MO, NBO, and VB methodologies.
    Brownridge S; Crawford MJ; Du H; Harcourt RD; Knapp C; Laitinen RS; Passmore J; Rautiainen JM; Suontamo RJ; Valkonen J
    Inorg Chem; 2007 Feb; 46(3):681-99. PubMed ID: 17257010
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Valence-bond/coherent-states approach to the charge equilibration model I. Valence-bond models for diatomic molecules.
    Morales JA
    J Phys Chem A; 2009 May; 113(20):6004-15. PubMed ID: 19391590
    [TBL] [Abstract][Full Text] [Related]  

  • 20. A quantitative metric for conjugation in polyene hydrocarbons having a single classical structure.
    Dias JR
    J Phys Chem A; 2014 Nov; 118(45):10822-36. PubMed ID: 25310522
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 13.