Mario Barbatti
@mbarbatti.bsky.social
Professor of theoretical chemistry / molecular physics at Aix Marseille University. Member of Institut Universitaire de France. Newton-X designer.🧪
June 1, 2025 at 5:27 AM
A free version of the paper is available:
doi.org/10.26434/che...
doi.org/10.26434/che...
When Theory Came First: A Review of Theoretical Chemical Predictions Ahead of Experiments
For decades, computational theoretical chemistry has provided critical insights into molecular behavior, often anticipating experimental discoveries. This review surveys twenty notable examples from t...
doi.org
May 31, 2025 at 2:45 PM
A free version of the paper is available:
doi.org/10.26434/che...
doi.org/10.26434/che...