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Chemistry

D-Index
49
Citations
7450
World Ranking
14957
National Ranking
3812

Overview

Robert D. Bach is affiliated with the University of Delaware in the United States and has contributed to the fields of Chemistry and Materials Science. Their research primarily focuses on Organic Chemistry, Materials Chemistry, Catalysis, and Inorganic Chemistry.

The main topics covered in their work include:

  • Thermal and Kinetic Analysis
  • Free Radicals and Antioxidants
  • Organic Chemistry Cycloaddition Reactions
  • Polyoxometalates: Synthesis and Applications
  • Chemical Thermodynamics and Molecular Structure
  • Chemical Reaction Mechanisms
  • Oxidative Organic Chemistry Reactions

Robert D. Bach's frequent coauthor collaboration includes H. Bernhard Schlegel, with whom they have coauthored multiple publications.

Their research has been predominantly published in The Journal of Physical Chemistry A, which has featured five of their papers. These recent papers include:

  • "Bond Dissociation Energy of Peroxides Revisited," 2020, The Journal of Physical Chemistry A
  • "The Bond Dissociation Energy of the N-O Bond," 2021, The Journal of Physical Chemistry A
  • "Mechanism of Orbital Interactions in the Sharpless Epoxidation with Ti(IV) Peroxides: A DFT Study," 2021, The Journal of Physical Chemistry A
  • "Mechanism of the Sharpless Epoxidation Reaction: A DFT Study," 2024, The Journal of Physical Chemistry A
  • "Correction to 'The Bond Dissociation Energy of the N-O Bond,'" 2022, The Journal of Physical Chemistry A

Their research involves detailed investigation into reaction mechanisms, particularly focusing on bond dissociation energies and catalytic processes. They have utilized density functional theory (DFT) studies to explore orbital interactions relevant to organic synthesis reactions such as the Sharpless epoxidation.

Best Publications

  • A REASSESSMENT OF THE BOND DISSOCIATION ENERGIES OF PEROXIDES. AN AB INITIO STUDY

    Robert D. Bach;and Philippe Y. Ayala;H. B. Schlegel

  • Strain energy of small ring hydrocarbons. Influence of C-h bond dissociation energies.

    Robert D Bach;Olga Dmitrenko

  • Electronic structure and reactivity of dioxirane and carbonyl oxide

    Robert D. Bach;Jose L. Andres;Amy L. Owensby;H. Bernhard Schlegel

  • Mechanism of thiolate-disulfide interchange reactions in biochemistry.

    Robert D. Bach;Olga Dmitrenko;Colin Thorpe

  • The performance of B3-LYP density functional theory in describing SN2 reactions at saturated carbon

    Mikhail N. Glukhovtsev;Robert D. Bach;Addy Pross;Addy Pross;Leo Radom

  • Ring strain energy in the cyclooctyl system. The effect of strain energy on [3 + 2] cycloaddition reactions with azides.

    Robert D. Bach

  • Performance of the B3LYP/ECP DFT Calculations of Iron-Containing Compounds

    Mikhail N. Glukhovtsev;Robert D. Bach;Christopher J. Nagel

  • The Effect of Carbonyl Substitution on the Strain Energy of Small Ring Compounds and Their Six-Member Ring Reference Compounds

    Robert D Bach;Olga Dmitrenko

  • Oxidation of Amines and Sulfides with Hydrogen Peroxide and Alkyl Hydrogen Peroxide. The Nature of the Oxygen-Transfer Step

    Robert D. Bach;Ming-Der Su;H. Bernhard Schlegel

  • A theoretical model for the orientation of carbene insertion into saturated hydrocarbons and the origin of the activation barrier

    Robert D. Bach;Ming Der Su;Ehab Aldabbagh;Jose L. Andres

  • Mechanism of SN2 disulfide bond cleavage by phosphorus nucleophiles. Implications for biochemical disulfide reducing agents.

    Olga Dmitrenko;Colin Thorpe;Robert D. Bach

  • Mechanism of Acid-Catalyzed Epoxidation of Alkenes with Peroxy Acids

    Robert D. Bach;Carlo Canepa;Julia E. Winter;Paul E. Blanchette

  • The "somersault" mechanism for the p-450 hydroxylation of hydrocarbons. The intervention of transient inverted metastable hydroperoxides.

    Robert D. Bach;Olga Dmitrenko

  • Computational studies of nucleophilic substitution at carbonyl carbon: the S(N)2 mechanism versus the tetrahedral intermediate in organic synthesis.

    Joseph M Fox;Olga Dmitrenko;Lian-An Liao;Robert D Bach

  • Electronic factors influencing the activation barrier of the Diels-Alder reaction. An ab initio study

    Robert D. Bach;Joseph J. W. McDouall;H. Bernhard Schlegel;Gregory J. Wolber

  • Nature of the transition structure for oxygen atom transfer from a hydroperoxide. Theoretical comparison between water oxide and ammonia oxide

    Robert D. Bach;Amy L. Owensby;Carlos Gonzalez;H. Bernhard Schlegel

  • Theoretical model for electrophilic oxygen atom insertion into hydrocarbons

    Robert D. Bach;Jose L. Andres;Ming Der Su;Joseph J. W. McDouall

  • Molecular orbital approach to the mechanism of electrophilic additions to olefins

    Robert D. Bach;H. Fred Henneike

  • Single-Step and Multistep Mechanisms of Aromatic Nucleophilic Substitution of Halobenzenes and Halonitrobenzenes with Halide Anions: Ab Initio Computational Study

    Mikhail N. Glukhovtsev;Robert D. Bach;Sergei Laiter

  • Oxidation of Alkenes, Sulfides, Amines, and Phosphines with Peroxynitrous Acid: Comparison with Other Oxidants Such as Peroxyformic Acid and Dimethyldioxirane

    Robert D. Bach;Mikhail N. Glukhovtsev;Carlo Canepa

Frequent Co-Authors

H. Bernhard Schlegel
H. Bernhard Schlegel Wayne State University
Larry Kevan
Larry Kevan University of Houston
Carlos González
Carlos González Spanish National Research Council
Colin Thorpe
Colin Thorpe University of Delaware
Joseph M. Fox
Joseph M. Fox University of Delaware
Franklin A. Davis
Franklin A. Davis Temple University
Addy Pross
Addy Pross Ben-Gurion University of the Negev
William F. Schneider
William F. Schneider University of Notre Dame
Andrea Mattevi
Andrea Mattevi University of Pavia

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