Leif D. Jacobson

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Yihan Shao, Zhengting Gan, Evgeny Epifanovsky et al. · Molecular Physics · 2014 · 3.1K citations

Program Package, Engineering, Theoretical Inorganic Chemistry +22

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

Evgeny Epifanovsky, Andrew T. B. Gilbert, Xintian Feng et al. · The Journal of Chemical Physics · 2021 · 1.3K citations · Full text

Automated Transition State Search and Its Application to Diverse Types of Organic Reactions

Leif D. Jacobson, Arteum D. Bochevarov, Mark A. Watson et al. · Journal of Chemical Theory and Computation · 2017 · 170 citations

Engineering, Chemical Transformation, Chemical Analysis +18

A one-electron model for the aqueous electron that includes many-body electron-water polarization: Bulk equilibrium structure, vertical electron binding energy, and optical absorption spectrum

Leif D. Jacobson, John M. Herbert · The Journal of Chemical Physics · 2010 · 109 citations

An efficient, fragment-based electronic structure method for molecular systems: Self-consistent polarization with perturbative two-body exchange and dispersion

Leif D. Jacobson, John M. Herbert · The Journal of Chemical Physics · 2011 · 104 citations

Engineering, Self-consistent Polarization, Water Clusters +19