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H. Bernhard Schlegel

H. Bernhard Schlegel

Wayne State University
United States

D-Index & Metrics

Discipline name D-Index World Ranking Current World Ranking National Ranking Current National Ranking Publications Citations
Chemistry 101 1197 1062 468 382 445 59015

H. Bernhard Schlegel publications per year

The chart shows the history of publications by H. Bernhard Schlegel between 1975 and 2025, highlighting the no. of papers published in each year and offering an overview of the publication velocity of this scholar. H. Bernhard Schlegel published across 51 years, from 1975 to 2025, averaging 9.4 papers a year. Output peaked at 18 publications in 2002. 12 of the 477 publications appeared in the last two years.

No. of publications
5 10 15
Bar chart. Horizontal axis: year, 1975 to 2025. Vertical axis: number of publications, 0 to 18. Peak 18 publications in 2002. 1975: 8 publications 1976: 8 publications 1977: 5 publications 1978: 4 publications 1979: 2 publications 1980: 0 publications 1981: 4 publications 1982: 16 publications 1983: 8 publications 1984: 11 publications 1985: 7 publications 1986: 5 publications 1987: 13 publications 1988: 8 publications 1989: 7 publications 1990: 12 publications 1991: 9 publications 1992: 11 publications 1993: 15 publications 1994: 13 publications 1995: 5 publications 1996: 9 publications 1997: 9 publications 1998: 12 publications 1999: 10 publications 2000: 9 publications 2001: 16 publications 2002: 18 publications 2003: 10 publications 2004: 13 publications 2005: 16 publications 2006: 11 publications 2007: 8 publications 2008: 4 publications 2009: 8 publications 2010: 16 publications 2011: 5 publications 2012: 14 publications 2013: 5 publications 2014: 6 publications 2015: 12 publications 2016: 16 publications 2017: 12 publications 2018: 7 publications 2019: 9 publications 2020: 7 publications 2021: 7 publications 2022: 18 publications 2023: 7 publications 2024: 8 publications 2025: 4 publications
1975 2025

477 publications in total across all disciplines

View publications per year as a table
H. Bernhard Schlegel: publications per year, 1975 to 2025
Year Publications
1975 8
1976 8
1977 5
1978 4
1979 2
1980 0
1981 4
1982 16
1983 8
1984 11
1985 7
1986 5
1987 13
1988 8
1989 7
1990 12
1991 9
1992 11
1993 15
1994 13
1995 5
1996 9
1997 9
1998 12
1999 10
2000 9
2001 16
2002 18
2003 10
2004 13
2005 16
2006 11
2007 8
2008 4
2009 8
2010 16
2011 5
2012 14
2013 5
2014 6
2015 12
2016 16
2017 12
2018 7
2019 9
2020 7
2021 7
2022 18
2023 7
2024 8
2025 4
Total 477
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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.

No. of scientists
250 500 750 1,000 1,250
Bar chart with 63 bars. Horizontal axis: publications, 61–80 to 1,295+. Vertical axis: number of scientists, 0 to 1,350. Most scientists, 1,350, have 161–180 publications. The last bar groups every scientist with 1,295 publications or more. The highlighted bar, 441–460 publications, is where this scientist sits. 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
61–80 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.

View publications distribution as a table
Number of Chemistry scientists by publication count, Research.com 2026 ranking edition. Based on 17,934 ranked scientists.
Publications Scientists This scientist
61–80 66
81–100 302
101–120 623
121–140 918
141–160 1,218
161–180 1,350
181–200 1,344
201–220 1,281
221–240 1,216
241–260 1,100
261–280 979
281–300 939
301–320 764
321–340 643
341–360 628
361–380 522
381–400 459
401–420 397
421–440 327
441–460 270 445
461–480 265
481–500 252
501–520 201
521–540 185
541–560 148
561–580 148
581–600 132
601–620 114
621–640 104
641–660 91
661–680 92
681–700 73
701–720 57
721–740 54
741–760 67
761–780 45
781–800 46
801–820 39
821–840 32
841–860 36
861–880 29
881–900 26
901–920 24
921–940 14
941–960 23
961–980 28
981–1,000 15
1,001–1,020 29
1,021–1,040 12
1,041–1,060 19
1,061–1,080 12
1,081–1,100 6
1,101–1,120 8
1,121–1,140 12
1,141–1,160 5
1,161–1,180 6
1,181–1,200 14
1,201–1,220 7
1,221–1,240 2
1,241–1,260 6
1,261–1,280 4
1,281–1,294 6
1,295+ 100
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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.

No. of scientists
250 500 750 1,000
Bar chart with 61 bars. Horizontal axis: D-Index, 40–41 to 159+. Vertical axis: number of scientists, 0 to 1,051. Most scientists, 1,051, have 56–57 D-Index. The last bar groups every scientist with 159 D-Index or more. The highlighted bar, 100–101 D-Index, is where this scientist sits. 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
40–41 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.

View D-Index distribution as a table
Number of Chemistry scientists by D-index, Research.com 2026 ranking edition. Based on 17,934 ranked scientists.
D-Index Scientists This scientist
40–41 289
42–43 612
44–45 808
46–47 776
48–49 835
50–51 861
52–53 872
54–55 933
56–57 1,051
58–59 930
60–61 882
62–63 834
64–65 731
66–67 775
68–69 683
70–71 646
72–73 561
74–75 501
76–77 437
78–79 388
80–81 354
82–83 292
84–85 275
86–87 254
88–89 235
90–91 185
92–93 192
94–95 155
96–97 163
98–99 125
100–101 105 101
102–103 105
104–105 112
106–107 88
108–109 68
110–111 69
112–113 65
114–115 79
116–117 61
118–119 44
120–121 37
122–123 40
124–125 33
126–127 26
128–129 34
130–131 35
132–133 25
134–135 27
136–137 17
138–139 16
140–141 20
142–143 20
144–145 15
146–147 9
148–149 9
150–151 16
152–153 11
154–155 9
156–157 3
158 3
159+ 98
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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

External Links

Personal website of H. Bernhard Schlegel

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Publications: 96

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Publications: 89

Dean J. Tantillo

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Publications: 85

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Scuola Normale Superiore di Pisa

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Ming-Chang Lin

Ming-Chang Lin

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Publications: 82

Israel Fernández

Israel Fernández

Complutense University of Madrid

Publications: 78

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Publications: 77

Sheng-Gui He

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Publications: 74

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