David Casanova

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

Shape maps and polyhedral interconversion paths in transition metal chemistry

Santiago Álvarez, Pere Alemany, David Casanova et al. · Coordination Chemistry Reviews · 2005 · 1.1K citations

Materials Science, Inorganic Chemistry, Engineering +10

The Rich Stereochemistry of Eight‐Vertex Polyhedra: A Continuous Shape Measures Study

David Casanova, Miquel Llunell, Pere Alemany et al. · Chemistry - A European Journal · 2005 · 919 citations

Engineering, Geometry, Statistical Shape Analysis +22

Mechanism for Singlet Fission in Pentacene and Tetracene: From Single Exciton to Two Triplets

Paul M. Zimmerman, Franziska Bell, David Casanova et al. · Journal of the American Chemical Society · 2011 · 458 citations

Engineering, Molecular Biology, Excitation Energy Transfer +16