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  1. 21
    Molecular orbital calculations (on dinitrogen tetroxide and related species)
    by Griffiths, R. L.
    Published 2013
    “... molecular systems. Molecular orbital methods which do not use any experimental parameters other than...”
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  2. 22
    Molecular Orbital Studdies of the Aromatic Nitro Compounds and Their Application
    by S.C.Tzeng, 曾士齊
    Published 1998
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  3. 23
    Some problems in theoretical chemistry by the method of molecular orbitals
    by Longuet - Higgings, H. C.
    Published 1947
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  4. 24
    Some molecular orbital calculations of NMR chemical shifts
    by Ebraheem, Kais Abdul Kareem
    Published 1977
    “...-empirical molecular orbital treatments of magnetic shielding is presented in Chapter 2 with particular...”
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  5. 25
    Studies in Self-Consistent Field Molecular Orbital Theory
    by Baykara, N. A.
    Published 1977
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  6. 26
    Molecular orbital studies of the benzilic acid and other rearrangements
    by Rajyaguru, I. H.
    Published 1987
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  7. 27
    Molecular orbital studies of dihydrogen transfers and other reactions
    by Agrafiotis, Dimitris
    Published 1988
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  8. 28
    A Quantitative Molecular Orbital Perspective of the Chalcogen Bond
    “... analyses of the bonding mechanism based on quantitative Kohn‐Sham molecular orbital (KS‐MO) theory...”
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    Article
  9. 29
    A Quantitative Molecular Orbital Perspective of the Chalcogen Bond
    “...–, and their attractive interaction in green. Then, a colorful molecular orbital (MO) diagram where the HOMO–LUMO mixing...”
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    Article
  10. 30
    Molecular orbital correlations of the acidity of phenols in the ground and excited states /
    by Rosenberg, Herbert Melvin
    Published 1964
    Subjects: “...Molecular orbitals...”
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  11. 31
    Molecular orbital study of the oxidation of steroidal phenols into quinols and epoxyquinols
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    Article
  12. 32
    Identifying Misconceptions that Limit Student Understanding of Molecular Orbital Diagrams
    by Judith L. Jenkins, Bradley T. Shoopman
    Published 2019-08-01
    “...Molecular orbital diagrams are commonly taught and used for describing chemical bonding chemistry...”
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    Article
  13. 33
    Molecular-orbital and structural descriptors in theoretical investigation of electroreduction of nitrodiazoles
    “... reactions.Mononitroimidazoles and mononitropyrazoles were studied by the semiempirical MNDO-PM3 molecular orbital method...”
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    Article
  14. 34
    A Molecular-Orbital Model for Amorphous Group IV Semiconductors
    by M. A. Grado-Caffaro, M. Grado-Caffaro
    Published 1997-01-01
    “...A theoretical model based on standard molecular-orbital theory and extended Hückel approach...”
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    Article
  15. 35
    Molecular-orbital and structural descriptors in theoretical investigation of electroreduction of nitrodiazoles
    by BRANKO KOLARIC, IVAN JURANIC, DRAGICA DUMANOVIC
    Published 2005-07-01
    “... reactions.Mononitroimidazoles and mononitropyrazoles were studied by the semiempirical MNDO-PM3 molecular orbital method...”
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    Article
  16. 36
    Semi-empirical, all-valence-electron, molecular orbital theory.
    by Sichel, John Martin.
    Published 1967
    Subjects: “...Molecular orbitals...”
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  17. 37
    Molecular orbital study of the oxidation of steroidal phenols into quinols and epoxyquinols
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    Article
  18. 38
    A study of pionic molecular orbitals for two-centre systems
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  19. 39
    Molecular orbital and photochemical studies of selected reactions of anthraquinone derivatives
    by Hamilton, Kenneth
    Published 1979
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  20. 40
    Molecular Orbital Calculations of Triphenylamines on TiO2 Surface
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