Stephen K. Wolff

<i>CrystalExplorer</i>: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals

Peter R. Spackman, Michael J. Turner, Joshua J. McKinnon et al. · Journal of Applied Crystallography · 2021 · 4.7K citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +16

Density functional calculations of nuclear magnetic shieldings using the zeroth-order regular approximation (ZORA) for relativistic effects: ZORA nuclear magnetic resonance

Stephen K. Wolff, Tom Ziegler, Erik van Lenthe et al. · The Journal of Chemical Physics · 1999 · 510 citations · Full text

Natural Sciences, Chemistry, Physics +14

Calculation of DFT-GIAO NMR shifts with the inclusion of spin-orbit coupling

Stephen K. Wolff, Tom Ziegler · The Journal of Chemical Physics · 1998 · 369 citations

Natural Sciences, Chemistry, Physics +17

Analytical second derivatives in the Amsterdam density functional package

Stephen K. Wolff · International Journal of Quantum Chemistry · 2005 · 209 citations

Natural Sciences, Chemistry, Physics +9

CrystalExplorer: a tool for displaying Hirshfeld surfaces and visualising intermolecular interactions in molecular crystals

Dylan Jayatilaka, Stephen K. Wolff, Daniel J. Grimwood et al. · Acta Crystallographica Section A Foundations of Crystallography · 2006 · 145 citations · Full text

Natural Sciences, Chemistry, Materials Science +17