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    1. The Nature of Nonclassical Carbonyl Ligands Explained by Kohn–Sham Molecular Orbital Theory

      by Bickelhaupt, F. Matthias; Lubbe, Stephanie C. C.; Vermeeren, Pascal and Fonseca Guerra, Célia

      Chemistry : A European Journal, Volume 26, Issue 67, pp. 15690 - 15699

      Journal Article : Full Text Online

    2. Valence Bond Theory—Its Birth, Struggles with Molecular Orbital Theory, Its (...)

      by Shaik, Sason; Danovich, David and Hiberty, Philippe C.

      Molecules (Basel, Switzerland), Volume 26, Issue 6, p. 1624

      Journal Article : Full Text Online

    3. Electronic Properties of UN and UN– from Photoelectron Spectroscopy and Correlated (...)

      by Peterson, Kirk A.; Ciborowski, Sandra; Zhu, Zhaoguo; Bowen, Kit H.; Harris, Rachel; Martinez-Martinez, Chalynette; Liu, Gaoxiang; Blankenhorn, Moritz; de Melo, Gabriel F.; Dixon, David A.; et al.

      The Journal Of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, & General Theory, Volume 126, Issue 43, pp. 7944 - 7953

      Journal Article : Full Text Online

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    1. Sigma molecular orbital theory

      by Oktay Sinanoğlu and Kenneth B. Wiberg.

      Book

      Check Holdings for this item's availability Library Service Center, QD461 .S474 1970 

    2. Approximate molecular orbital theory

      [by] John A. Pople [and] David L. Beveridge.

      Book

      Check Holdings for this item's availability Perkins & Bostock Library, QD461 .P66 1970 

    3. Molecular orbital theory; an introductory lecture note and reprint volume.

      C. J. Ballhausen and Harry B. Gray.

      Book

      This item is currently Available Library Service Center, Perkins & Bostock Library

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    1. Improvement of the exchange-correlation functional in density functional theory

      by Qin Wu.

      Archival and manuscript material

      This item is currently Available University Archives, Library Service Center

    2. Theory of biological and biologically-inspired molecules and intermolecular interactions : (...)

      Archival and manuscript material

      Check Holdings for this item's availability University Archives, Library Service Center

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