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About

Hans Bernhard "Berny" Schlegel is a German-born computational and theoretical chemist, and distinguished professor at Wayne State University. He is a highly cited chemist, with a Thomson Reuters H-Index of 116 and citations of over 218,000 as of 2020. He is a professor of chemistry at the Wayne State University and co-author of the computational chemistry software, Gaussian. The "Berny optimization" as implemented in Gaussian is named after him. His group also created the Electronic Structure Perl Toolkit (ESPT).

Most cited

627 papers in total

1989 · The Journal of Chemical Physics

An improved algorithm for reaction path following

6,175 citationsRead

1990 · The Journal of Physical Chemistry

Reaction path following in mass-weighted internal coordinates

6,008 citationsRead

1982 · Journal of Computational Chemistry

Optimization of equilibrium geometries and transition structures

3,934 citationsRead

1996 · Journal of Computational Chemistry

Using redundant internal coordinates to optimize equilibrium geometries and transition states

2,753 citationsRead

1993 · Israel Journal of Chemistry

Combining Synchronous Transit and Quasi‐Newton Methods to Find Transition States

2,092 citationsRead

1978 · International Journal of Quantum Chemistry

Electron correlation theories and their application to the study of simple reaction potential surfaces

1,054 citationsRead