In Loving Memory of
Warren Joseph Hehre (1945 - 2026)
Devoted husband, father, mentor, friend.
The world is less clever in his absence.
William Sean Ohlinger
ACS Spring 2026
March 22-26, 2026
Georgia World Congress Center
Atlanta, GA
RECENT PUBLICATIONS
Practical Machine Learning Strategies 1-4:
1. Correcting MMFF energies for improved Conformational Energy Differences
J. Comp. Chem. 2025, 46 (1), 70016.
https://doi.org/10.1002/jcc.70016
2. Accurate prediction of ωB97X-V, ωB97M-V, and ωB97M(2) with 6-311+G(2df,2p) energies from
Neural Networks and ωB97X-D/6-31G* input.
J. Comp. Chem. 2025, 46 (13), 70129.
https://doi.org/10.1002/jcc.70129
3. Accurate prediction of ωB97X-D/6-31G* Geometries from MMFF.
J. Chem. Info. Mod. 2025, 65 (5), 2314-2321
https://doi.org/10.1021/acs.jcim.4c01898
4. Using neural networks to replicate
1H and 13C NMR Chemical Shifts from ωB97X-D/6-31G*/GIAO calculations.
J. Org. Chem. 2025, 90 (32), 11478-11485
https://pubs.acs.org/doi/10.1021/acs.joc.5c00927
5. Stereochemical assignment of varicosenone, Using NMR and DFT-based NMR calculations.
J. Appl. Pharm. Sci.2024, 14(05), 240-244
BIO
Places:
Georgia-born, Florida-raised, California-based, and half-Canadian.
Education:
University of FL
USMC Electronics School
UC Irvine, Biochemistry
Professional:
USMC 1989-1995
GlaxoSmithKline 1996-1999
Wavefunction, Inc., 2000-present
Director of Sales 2000-2008
Vice President, GM 2009-2024
CEO, GM 2025-present
Hobbies:
acoustic guitar, poetry, folk and independent music, science fiction, and stand up comedy.
