Sebastian Kozuch

Spin‐component‐scaled double hybrids: An extensive search for the best fifth‐rung functionals blending DFT and perturbation theory

Jan M. L. Martin, Sebastian Kozuch, Jan M. L. Martin, 2013, J. Comput. Chem..

The many faces of halogen bonding: a review of theoretical models and methods

William L. Jorgensen, F. Matthias Bickelhaupt, Sebastian Kozuch, 2014 .

Automatic analysis of computed catalytic cycles

Sason Shaik, Sebastian Kozuch, Andreas Uhe, 2011, J. Comput. Chem..

Catalysis: energy is the measure of all things.

Sebastian Kozuch, Ephrath Solel, Naziha Tarannam, 2019, Chemical communications.

Synthetic and Predictive Approach to Unsymmetrical Biphenols by Iron-Catalyzed Chelated Radical-Anion Oxidative Coupling.

Sebastian Kozuch, Doron Pappo, Anna Libman, 2016 .

DSD-BLYP: A General Purpose Double Hybrid Density Functional Including Spin Component Scaling and Dispersion Correction

Sebastian Kozuch, Jan M. L. Martin, S. Kozuch, 2010 .

On the σ, π and δ hole interactions: a molecular orbital overview

Sebastian Kozuch, S. Kozuch, V. Angarov, 2018 .

Isotope-Controlled Selectivity by Quantum Tunneling: Hydrogen Migration versus Ring Expansion in Cyclopropylmethylcarbenes.

Sebastian Kozuch, Weston Thatcher Borden, P. Schreiner, 2017, Journal of the American Chemical Society.

The "Rebound Controversy": An Overview and Theoretical Modeling of the Rebound Step in C-H Hydroxylation by Cytochrome P450

Sason Shaik, Sebastian Kozuch, David Danovich, 2004 .

On the Performance of Continuum Solvation Models for the Solvation Energy of Small Anions

Sason Shaik, Per-Ola Norrby, Sebastian Kozuch, 2006 .

The rate-determining step is dead. Long live the rate-determining state!

Sebastian Kozuch, Jan M L Martin, Jan M. L. Martin, 2011, Chemphyschem : a European journal of chemical physics and physical chemistry.