World's Best Scientists 2026 revealed!
H. Bernhard Schlegel

H. Bernhard Schlegel

D-Index & Metrics

Chemistry

D-Index
101
Citations
59015
World Ranking
1197
National Ranking
468

H. Bernhard Schlegel publication distribution in Chemistry in 2026

The chart shows the distribution of publications by all Research.com ranked scientists in the field of Chemistry in 2026. The highlighted bar marks where H. Bernhard Schlegel sits on this spectrum.

61–80 publications: 66 scientists 81–100 publications: 302 scientists 101–120 publications: 623 scientists 121–140 publications: 918 scientists 141–160 publications: 1,218 scientists 161–180 publications: 1,350 scientists 181–200 publications: 1,344 scientists 201–220 publications: 1,281 scientists 221–240 publications: 1,216 scientists 241–260 publications: 1,100 scientists 261–280 publications: 979 scientists 281–300 publications: 939 scientists 301–320 publications: 764 scientists 321–340 publications: 643 scientists 341–360 publications: 628 scientists 361–380 publications: 522 scientists 381–400 publications: 459 scientists 401–420 publications: 397 scientists 421–440 publications: 327 scientists 441–460 publications: 270 scientists 461–480 publications: 265 scientists 481–500 publications: 252 scientists 501–520 publications: 201 scientists 521–540 publications: 185 scientists 541–560 publications: 148 scientists 561–580 publications: 148 scientists 581–600 publications: 132 scientists 601–620 publications: 114 scientists 621–640 publications: 104 scientists 641–660 publications: 91 scientists 661–680 publications: 92 scientists 681–700 publications: 73 scientists 701–720 publications: 57 scientists 721–740 publications: 54 scientists 741–760 publications: 67 scientists 761–780 publications: 45 scientists 781–800 publications: 46 scientists 801–820 publications: 39 scientists 821–840 publications: 32 scientists 841–860 publications: 36 scientists 861–880 publications: 29 scientists 881–900 publications: 26 scientists 901–920 publications: 24 scientists 921–940 publications: 14 scientists 941–960 publications: 23 scientists 961–980 publications: 28 scientists 981–1,000 publications: 15 scientists 1,001–1,020 publications: 29 scientists 1,021–1,040 publications: 12 scientists 1,041–1,060 publications: 19 scientists 1,061–1,080 publications: 12 scientists 1,081–1,100 publications: 6 scientists 1,101–1,120 publications: 8 scientists 1,121–1,140 publications: 12 scientists 1,141–1,160 publications: 5 scientists 1,161–1,180 publications: 6 scientists 1,181–1,200 publications: 14 scientists 1,201–1,220 publications: 7 scientists 1,221–1,240 publications: 2 scientists 1,241–1,260 publications: 6 scientists 1,261–1,280 publications: 4 scientists 1,281–1,294 publications: 6 scientists 1,295+ publications: 100 scientists
61 publications 1,295+

This scientist: 445 publications — 84th percentile

84% of scientists in this discipline score the same or lower.

The last bar groups every scientist with 1,295 publications or more.

H. Bernhard Schlegel D-index placement in Chemistry in 2026

The chart shows the D-index (discipline H-index) distribution of Chemistry scientists ranked by Research.com in 2026. The highlighted bar marks where H. Bernhard Schlegel sits on this spectrum.

40–41 D-Index: 289 scientists 42–43 D-Index: 612 scientists 44–45 D-Index: 808 scientists 46–47 D-Index: 776 scientists 48–49 D-Index: 835 scientists 50–51 D-Index: 861 scientists 52–53 D-Index: 872 scientists 54–55 D-Index: 933 scientists 56–57 D-Index: 1,051 scientists 58–59 D-Index: 930 scientists 60–61 D-Index: 882 scientists 62–63 D-Index: 834 scientists 64–65 D-Index: 731 scientists 66–67 D-Index: 775 scientists 68–69 D-Index: 683 scientists 70–71 D-Index: 646 scientists 72–73 D-Index: 561 scientists 74–75 D-Index: 501 scientists 76–77 D-Index: 437 scientists 78–79 D-Index: 388 scientists 80–81 D-Index: 354 scientists 82–83 D-Index: 292 scientists 84–85 D-Index: 275 scientists 86–87 D-Index: 254 scientists 88–89 D-Index: 235 scientists 90–91 D-Index: 185 scientists 92–93 D-Index: 192 scientists 94–95 D-Index: 155 scientists 96–97 D-Index: 163 scientists 98–99 D-Index: 125 scientists 100–101 D-Index: 105 scientists 102–103 D-Index: 105 scientists 104–105 D-Index: 112 scientists 106–107 D-Index: 88 scientists 108–109 D-Index: 68 scientists 110–111 D-Index: 69 scientists 112–113 D-Index: 65 scientists 114–115 D-Index: 79 scientists 116–117 D-Index: 61 scientists 118–119 D-Index: 44 scientists 120–121 D-Index: 37 scientists 122–123 D-Index: 40 scientists 124–125 D-Index: 33 scientists 126–127 D-Index: 26 scientists 128–129 D-Index: 34 scientists 130–131 D-Index: 35 scientists 132–133 D-Index: 25 scientists 134–135 D-Index: 27 scientists 136–137 D-Index: 17 scientists 138–139 D-Index: 16 scientists 140–141 D-Index: 20 scientists 142–143 D-Index: 20 scientists 144–145 D-Index: 15 scientists 146–147 D-Index: 9 scientists 148–149 D-Index: 9 scientists 150–151 D-Index: 16 scientists 152–153 D-Index: 11 scientists 154–155 D-Index: 9 scientists 156–157 D-Index: 3 scientists 158 D-Index: 3 scientists 159+ D-Index: 98 scientists
40 D-Index 159+

This scientist: 101 D-Index — 93rd percentile

93% of scientists in this discipline score the same or lower.

The last bar groups every scientist with 159 D-Index or more.

Overview

H. Bernhard Schlegel is affiliated with Wayne State University in the United States. Their research spans multiple fields, including chemistry, physics and astronomy, and materials science.

The scientist has contributed extensively to several subfields of study, primarily atomic and molecular physics and optics, materials chemistry, organic chemistry, molecular biology, and spectroscopy. Their work broadly engages with topics such as laser-matter interactions and applications, advanced chemical physics studies, crystallization and solubility studies, X-ray diffraction in crystallography, mass spectrometry techniques and applications, carbohydrate chemistry and synthesis, and free radicals and antioxidants.

Notable recent publications by Schlegel include:

  • Ascorbic acid: The chemistry underlying its antioxidant properties, 2020, Free Radical Biology and Medicine
  • 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
  • Diastereoselective sp3 C-O Bond Formation via Visible Light-Induced, Copper-Catalyzed Cross-Couplings of Glycosyl Bromides with Aliphatic Alcohols, 2020, ACS Catalysis
  • Calculations of pKa Values for a Series of Naturally Occurring Modified Nucleobases, 2022, The Journal of Physical Chemistry A

Frequent coauthors contributing to their projects include Richard N. Schaugaard, Hien M. Nguyen, Wen Li, Ramiro Barraza, and Alexander G. Sertage. Collaboration with these researchers appears consistently across multiple publications.

Schlegel's work is published predominantly in a set of specific scientific journals. These include:

  • The Journal of Physical Chemistry A
  • The Cambridge Structural Database
  • ACS Catalysis
  • The Journal of Chemical Physics
  • Journal of the American Chemical Society

Best Publications

  • Reaction Path Following in Mass-Weighted Internal Coordinates

    Carlos Gonzalez;H. Bernhard Schlegel

  • An improved algorithm for reaction path following

    Carlos Gonzalez;H. Bernhard Schlegel

  • Optimization of equilibrium geometries and transition structures

    H. Bernhard Schlegel

  • Using redundant internal coordinates to optimize equilibrium geometries and transition states

    Chunyang Peng;Philippe Y. Ayala;H. Bernhard Schlegel;Michael J. Frisch

  • Combining Synchronous Transit and Quasi-Newton Methods to Find Transition States

    Chunyang Peng;H. Bernhard Schlegel

  • Using Hessian Updating To Increase the Efficiency of a Hessian Based Predictor-Corrector Reaction Path Following Method.

    Unknown

  • Accurate reaction paths using a Hessian based predictor–corrector integrator

    Hrant P. Hratchian;H. Bernhard Schlegel

  • Improved algorithms for reaction path following: Higher‐order implicit algorithms

    Carlos Gonzalez;H. Bernhard Schlegel

  • A direct method for the location of the lowest energy point on a potential surface crossing

    Michael J. Bearpark;Michael A. Robb;H. Bernhard Schlegel

  • Potential energy curves using unrestricted Mo/ller–Plesset perturbation theory with spin annihilation

    H. Bernhard Schlegel

  • Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints.

    Thom Vreven;Keiji Morokuma;Ödön Farkas;Ödön Farkas;H. Bernhard Schlegel

  • Identification and treatment of internal rotation in normal mode vibrational analysis

    Philippe Y. Ayala;H. Bernhard Schlegel

  • On the physical origin of blue-shifted hydrogen bonds.

    Xiaosong Li;Lei Liu;H. Bernhard Schlegel

  • Ab initio molecular dynamics: Propagating the density matrix with Gaussian orbitals

    H. Bernhard Schlegel;John M. Millam;Srinivasan S. Iyengar;Gregory A. Voth

  • Ab initio molecular dynamics: Propagating the density matrix with Gaussian orbitals. II. Generalizations based on mass-weighting, idempotency, energy conservation and choice of initial conditions

    Srinivasan S. Iyengar;H. Bernhard Schlegel;John M. Millam;Gregory A. Voth

  • Ab initio molecular dynamics: Propagating the density matrix with Gaussian orbitals. III. Comparison with Born–Oppenheimer dynamics

    H. Bernhard Schlegel;Srinivasan S. Iyengar;Xiaosong Li;John M. Millam

  • Harmonic frequency scaling factors for Hartree-Fock, S-VWN, B-LYP, B3-LYP, B3-PW91 and MP2 with the Sadlej pVTZ electric property basis set

    Mathew D. Halls;Julia Velkovski;H. Bernhard Schlegel

  • Exploring potential energy surfaces for chemical reactions: An overview of some practical methods

    H. Bernhard Schlegel

  • Ascorbic acid: The chemistry underlying its antioxidant properties

    David Njus;Patrick M. Kelley;Yi-Jung Tu;H. Bernhard Schlegel

  • Ab initio Ehrenfest dynamics.

    Xiaosong Li;John C. Tully;H. Bernhard Schlegel;Michael J. Frisch

  • A combined method for determining reaction paths, minima, and transition state geometries

    Philippe Y. Ayala;H. Bernhard Schlegel

  • Finding minima, transition states, and following reaction pathways on ab initio potential energy surfaces

    Hrant P. Hratchian;H. Bernhard Schlegel

Frequent Co-Authors

Saul Wolfe
Saul Wolfe Simon Fraser University
Fernando Bernardi
Fernando Bernardi University of Bologna
Mary Jane Heeg
Mary Jane Heeg Wayne State University
Xiaosong Li
Xiaosong Li University of Washington
Robert D. Bach
Robert D. Bach University of Delaware
Michael J. Frisch
Michael J. Frisch Gaussian Inc.
William L. Hase
William L. Hase Texas Tech University
Charles H. Winter
Charles H. Winter Wayne State University
Michael A. Robb
Michael A. Robb Imperial College London
Gustavo E. Scuseria
Gustavo E. Scuseria Rice University

If you think any of the details on this page are incorrect, let us know.

Report an issue

We appreciate your kind effort to assist us to improve this page, it would be helpful providing us with as much detail as possible in the text box below:

Related Online Degrees & Career Pathways

Studying Chemistry in the USA opens doors to various specialized career paths. For those interested in healthcare, understanding how much does it cost to become a pharmacist is essential, as pharmacy programs often require significant investment but lead to rewarding roles in medication management and patient care.

Another fascinating avenue is forensic science, where chemistry skills are fundamental. Aspiring professionals can pursue a forensic science bachelor degree online, providing flexible learning options that prepare students for roles like a forensic autopsy technician. This role requires specialized knowledge in chemistry and biology and offers meaningful contributions to criminal investigations.

For those interested in the psychological aspects of forensic work, earning a masters in forensic psychology online can be an excellent complement to a chemistry background, expanding career opportunities in criminal profiling, law enforcement, and behavioral analysis.

Exploring these related degrees online can offer flexibility and affordability while equipping students with the skills necessary to thrive in competitive and impactful chemistry-related careers.

Best Scientists Citing H. Bernhard Schlegel

Trending Scientists

Recently Published Articles