Gerald Knizia

    • 5553 Citations
    • 23 h-Index
    20072019
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    Fingerprint Dive into the research topics where Gerald Knizia is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

    Molecules Chemical Compounds
    Quantum chemistry Chemical Compounds
    Gold Chemical Compounds
    Electrons Chemical Compounds
    Wave functions Chemical Compounds
    Atoms Chemical Compounds
    approximation Physics & Astronomy
    Vibrational spectra Chemical Compounds

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    Research Output 2007 2019

    • 5553 Citations
    • 23 h-Index
    • 36 Article
    • 1 Chapter
    4 Citations (Scopus)

    Cationic Gold(I) Diarylallenylidene Complexes: Bonding Features and Ligand Effects

    Sorbelli, D., Nunes dos Santos Comprido, L., Knizia, G., Hashmi, A. S. K., Belpassi, L., Belanzoni, P. & Klein, J. E. M. N., Jul 2 2019, In : ChemPhysChem. 20, 13, p. 1671-1679 9 p.

    Research output: Contribution to journalArticle

    Open Access
    Gold
    gold
    Ligands
    ligands
    Chemical shift
    1 Citation (Scopus)

    Epoxidation of Alkenes by Peracids: From Textbook Mechanisms to a Quantum Mechanically Derived Curly-Arrow Depiction

    Klein, J. E. M. N., Knizia, G. & Rzepa, H. S., Oct 1 2019, In : ChemistryOpen. 8, 10, p. 1244-1250 7 p.

    Research output: Contribution to journalArticle

    Open Access
    Peracetic Acid
    Epoxidation
    Textbooks
    Alkenes
    Teaching
    1 Citation (Scopus)

    Visualizing Complex-Valued Molecular Orbitals

    Al-Saadon, R., Shiozaki, T. & Knizia, G., Apr 11 2019, In : Journal of Physical Chemistry A. 123, 14, p. 3223-3228 6 p.

    Research output: Contribution to journalArticle

    Molecular orbitals
    molecular orbitals
    wheels
    triangles
    mesh
    1 Citation (Scopus)

    σ-Noninnocence: Masked Phenyl-Cation Transfer at Formal NiIV

    Steen, J. S., Knizia, G. & Klein, J. E. M. N., Sep 9 2019, In : Angewandte Chemie - International Edition. 58, 37, p. 13133-13139 7 p.

    Research output: Contribution to journalArticle

    Open Access
    Organometallics
    Cations
    Positive ions
    Oxidation
    Covalent bonds
    12 Citations (Scopus)

    cPCET versus HAT: A Direct Theoretical Method for Distinguishing X–H Bond-Activation Mechanisms

    Klein, J. E. M. N. & Knizia, G., Sep 10 2018, In : Angewandte Chemie - International Edition. 57, 37, p. 11913-11917 5 p.

    Research output: Contribution to journalArticle

    Hydrogen
    Chemical activation
    Wave functions
    Atoms
    Electrons