Tags: Schleyer Lecture


Dynamic Effects and Machine-Learning Transition State Theory

Transition state theory is chemistry’s most important quantitative method for the calculation of rates and qualitative framework for the understanding of rates. Some flaws and limitations of transition state theory were apparent at its beginning, while others have become apparent in recent years from a growing number of reactions found to exhibit “dynamic effects,” that is, experimental kinetic observations that cannot be predicted or understood…


Catalyzing and Controlling Chemical Reactions with Electric Fields

Chemists appreciate that the rate of redox reactions can be manipulated by means of an electrical potential gradient. However, it was only in 2016 that it was shown that an external electric field can also be used to catalyze non-redox reactions, thereby opening up a new dimension to chemical catalysis [1]. So-called electrostatic catalysis arises because most chemical species have some degree of polarity and so can be stabilized by an…


Bringing Modern Data Analysis Tools to Physical Organic Chemistry

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