Viewpoints

Hopmann, K. H., How to Make Your Computational Paper Interesting and Have It Published. Organometallics 2019, 38 (3), 603-605

Morgante, P.; Peverati, R., The devil in the details: A tutorial review on some undervalued aspects of density functional theory calculations. International Journal of Quantum Chemistry 2020, 120 (18), e26332.

Ryu, H.; Park, J.; Kim, H. K.; Park, J. Y.; Kim, S.-T.; Baik, M.-H., Pitfalls in Computational Modeling of Chemical Reactions and How To Avoid Them. Organometallics 2018, 37 (19), 3228-3239.

Eisenstein, O.; Ujaque, G.; Lledós, A., What Makes a Good (Computed) Energy Profile? In New Directions in the Modeling of Organometallic Reactions, Lledós, A.; Ujaque, G., Eds. Springer International Publishing: Cham, 2020; pp 1-38.

Tantillo, D. J., Dynamic effects on organic reactivity—Pathways to (and from) discomfort. Journal of Physical Organic Chemistry 2021, 34 (6), e4202

Plata, R. E.; Singleton, D. A., A Case Study of the Mechanism of Alcohol-Mediated Morita Baylis–Hillman Reactions. The Importance of Experimental Observations. Journal of the American Chemical Society 2015, 137 (11), 3811-3826.

Solel, E.; Tarannam, N.; Kozuch, S., Catalysis: energy is the measure of all things. Chemical Communications 2019, 55 (37), 5306-5322.

Poree, C.; Schoenebeck, F., A Holy Grail in Chemistry: Computational Catalyst Design: Feasible or Fiction? Accounts of Chemical Research 2017, 50 (3), 605-608.

Houk, K. N.; Liu, F., Holy Grails for Computational Organic Chemistry and Biochemistry. Accounts of Chemical Research 2017, 50 (3), 539-543.

Tantillo, D. J., Questions in natural products synthesis research that can (and cannot) be answered using computational chemistry. Chemical Society Reviews 2018, 47 (21), 7845-7850.

Scroll to Top