S. Wolff

发表

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

Tom Ziegler, T. Ziegler, S. K. Wolff, 1998 .

Analytical second derivatives in the Amsterdam density functional package

S. Wolff, 2005 .

CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals

M. J. Turner, Peter R. Spackman, M. Spackman, 2021, Journal of applied crystallography.

Analysis of terminal effects in rectangular electrochemical cells

S. Marshall, S. Wolff, 1998 .

A vibrational circular dichroism implementation within a Slater-type-orbital based density functional framework and its application to hexa- and hepta-helicenes

E. Baerends, J. Neugebauer, V. P. Nicu, 2008 .

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

Evert Jan Baerends, Tom Ziegler, E. Baerends, 1999 .

NMR Shielding Calculations across the Periodic Table: Diamagnetic Uranium Compounds. 1. Methods and Issues

G. Schreckenbach, T. Ziegler, S. Wolff, 2000 .

ENSEMBLE-REPRESENTABLE DENSITIES FOR ATOMS AND MOLECULES. II. APPLICATION TO COCL42-

P. Cassam-Chenaï, B. Figgis, S. Wolff, 1996 .

Ab initio theoretical calculation of experimental structure factors for (ND4)2Cu(SO4)2·6D2O at 9 K

B. Figgis, S. Wolff, G. Chandler, 1994 .

A definition for the covalent and ionic bond index in a molecule

D. Jayatilaka, S. Wolff, G. Chandler, 2008 .

An ab initio calculation of magnetic structure factors for Cs3CoCl5 including spin–orbit and finite magnetic field effects

D. Jayatilaka, S. Wolff, G. Chandler, 1995 .

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

Colin W. Glass, Artem R. Oganov, Daniel J. Grimwood, 2006 .

Calculation of ohmic resistance effects in rectangular electrodes of finite thickness

S. Marshall, S. Wolff, 1993, Journal of Applied Electrochemistry.