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Journal Abstract Search

371 related items for PubMed ID: 19391590

  • 21. Supersymmetric quantum mechanics, excited state energies and wave functions, and the Rayleigh-Ritz variational principle: a proof of principle study.
    Kouri DJ, Markovich T, Maxwell N, Bittner ER.
    J Phys Chem A; 2009 Dec 31; 113(52):15257-64. PubMed ID: 19863127
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  • 24. Split charge equilibration method with correct dissociation limits.
    Mathieu D.
    J Chem Phys; 2007 Dec 14; 127(22):224103. PubMed ID: 18081386
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  • 25. Energy partitioning for generalized product functions: the interference contribution to the energy of generalized valence bond and spin coupled wave functions.
    Cardozo TM, Nascimento MA.
    J Chem Phys; 2009 Mar 14; 130(10):104102. PubMed ID: 19292518
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  • 27. Toward a physical understanding of electron-sharing two-center bonds. I. General aspects.
    Bitter T, Ruedenberg K, Schwarz WH.
    J Comput Chem; 2007 Jan 15; 28(1):411-22. PubMed ID: 17143871
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  • 28. Bond order and valence indices: a personal account.
    Mayer I.
    J Comput Chem; 2007 Jan 15; 28(1):204-21. PubMed ID: 17066501
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  • 30. Interpreting the Coulomb-field approximation for generalized-Born electrostatics using boundary-integral equation theory.
    Bardhan JP.
    J Chem Phys; 2008 Oct 14; 129(14):144105. PubMed ID: 19045132
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  • 31. A self-consistent treatment of electron transfer in the limit of strong friction via the mixed quantum classical Liouville method.
    Shi Q, Geva E.
    J Chem Phys; 2009 Jul 21; 131(3):034511. PubMed ID: 19624213
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  • 34. Quantum Monte Carlo with Jastrow-valence-bond wave functions.
    Braïda B, Toulouse J, Caffarel M, Umrigar CJ.
    J Chem Phys; 2011 Feb 28; 134(8):084108. PubMed ID: 21361528
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  • 36. Structural and spectroscopic study of the excited electronic states of silver dihalides by quantum chemical methods.
    Mishra S.
    Phys Chem Chem Phys; 2008 Jul 21; 10(27):3987-91. PubMed ID: 18597012
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  • 37. How valence bond theory can help you understand your (bio)chemical reaction.
    Shurki A, Derat E, Barrozo A, Kamerlin SC.
    Chem Soc Rev; 2015 Mar 07; 44(5):1037-52. PubMed ID: 25352378
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  • 38. Electron density, exchange-correlation density, and bond characterization from the perspective of the valence-bond theory. II. Numerical results.
    Rincón L, Alvarellos JE, Almeida R.
    J Chem Phys; 2005 Jun 01; 122(21):214104. PubMed ID: 15974725
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  • 39. A reactive bond orbital investigation of the Diels-Alder reaction between 1,3-butadiene and ethylene: Energy decomposition, state correlation diagram, and electron density analyses.
    Hirao H.
    J Comput Chem; 2008 Jul 15; 29(9):1399-407. PubMed ID: 18213608
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  • 40. Intensity-carrying modes important for vibrational polarizabilities and hyperpolarizabilities of molecules: derivation from the algebraic properties of formulas and applications.
    Torii H.
    J Comput Chem; 2002 Jul 30; 23(10):997-1006. PubMed ID: 12116404
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