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  1. 61
    Molecular orbital studies on the reactivity of organometallic hydride complexes and related species /
    by Gatter, Michael George
    Published 1985
    Subjects: “...Molecular orbitals...”
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  2. 62
    Molecular orbital studies of metal-metal bonding in bimetallic organoactinide compounds /
    by Novo-Gradac, Kevin J.
    Published 1989
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  3. 63
    Applications of molecular orbital theory in the structure, bonding and reactivity of inorganic molecules /
    by Graham, John Patrick
    Published 1996
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  4. 64
    The McClelland approximation and the distribution of π-electron molecular orbital energy levels
    by Gutman Ivan
    Published 2007-01-01
    Subjects: “...hückel molecular orbital theory...”
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    Article
  5. 65
    Dependence of the total -electron energy on large number of non-bonding molecular orbitals
    Subjects: “...non-bonding molecular orbitals...”
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    Article
  6. 66
    Thermal Analysis Investigation of Dapoxetine and Vardenafil Hydrochlorides using Molecular Orbital Calculations
    Subjects: “...Molecular orbital calculations...”
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    Article
  7. 67
    On the origin of the regioselective hydrolysis of a naphthoquinone diacetate: a molecular orbital study
    by Longo Ricardo L., Nunes Ruth L., Bieber Lothar W.
    Published 2001-01-01
    “... initio and semiempirical molecular orbital methods. In the gas phase (isolated systems), these methods...”
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    Article
  8. 68
    The McClelland approximation and the distribution of π-electron molecular orbital energy levels
    by IVAN GUTMAN
    Published 2007-10-01
    Subjects: “...Hückel molecular orbital theory...”
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    Article
  9. 69
    The stereochemistry of Cu2+ oxysalt minerals : an ab initio molecular-orbital approach
    by Burns, Peter C.
    Published 2013
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  10. 70
    Defect-induced discriminative modulation of the highest occupied molecular orbital energies of graphene
    by Wenjuan Yuan, Hongping Yang, Jun Luo, Jing Zhu
    Published 2015-11-01
    “... molecular orbital (HOMO) energy of a charged monolayer graphene quantum dot (GQD) is discriminative. When...”
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    Article
  11. 71
    Drug design using pharmacological structure/activity relationships and molecular orbital calculations
    by Abdul-Ahad, P. G.
    Published 1981
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  12. 72
    The stereochemistry of Cu2+ oxysalt minerals : an ab initio molecular-orbital approach
    by Burns, Peter C.
    Published 2013
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  13. 73
    The Natural Bond Orbital Anaiysis of the Canonical Molecular Orbital for Some Simple Molecules
    by Chen, Erh-Hao, 陳邇浩
    Published 1998
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  14. 74
    Stereostructure and Reactivity of 6-Pyruvoyl Tetrahydropterin Molecule Estimated by Molecular-Orbital Method
    by Katoh S., Sueoka T., Kurihara T.
    Published 1991-02-01
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    Article
  15. 75
    Energy Level Shift of Molecular Orbitals of Carbon Nanotubes with Covalent Edge Functionalization
    by 賴彥綸
    Published 2005
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  16. 76
    Interpretation of some pharmacological structure/activity relationships using molecular orbital calculations
    by Blair, Trevor
    Published 1979
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  17. 77
    Ab Initio Molecular Orbital Study of Nonlinear Optical Materials for Optoelectronics Applications
    by Hamada, Tomoyuki
    Published 2014
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  18. 78
    Some studies in the gas phase using photoelectron spectroscopy
    by Haggerston, Darren
    Published 1995
    Subjects: “...Molecular orbital theory...”
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  19. 79
    Hybrid RHF/MP2 geometry optimizations with the effective fragment molecular orbital method.
    “...The frozen domain effective fragment molecular orbital method is extended to allow...”
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    Article
  20. 80
    Computational Study of Structural, Molecular Orbitals, Optical and Thermodynamic Parameters of Thiophene Sulfonamide Derivatives
    Subjects: “...molecular orbitals...”
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    Article
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