Relativistic effects in gold chemistry. I. Diatomic gold compounds P Schwerdtfeger, M Dolg, WH Schwarz, GA Bowmaker, PDW Boyd The Journal of chemical physics 91 (3), 1762-1774, 1989 | 942 | 1989 |
The accuracy of the pseudopotential approximation. II. A comparison of various core sizes for indium pseudopotentials in calculations for spectroscopic constants of InH, InF … T Leininger, A Nicklass, H Stoll, M Dolg, P Schwerdtfeger The Journal of chemical physics 105 (3), 1052-1059, 1996 | 638 | 1996 |
Accuracy of energy-adjusted quasirelativistic ab initio pseudopotentials: All-electron and pseudopotential benchmark calculations for Hg, HgH and their cations U Häussermann, M Dolg, H Stoll, H Preuss, P Schwerdtfeger, RM Pitzer Molecular Physics 78 (5), 1211-1224, 1993 | 520 | 1993 |
The pseudopotential approximation in electronic structure theory P Schwerdtfeger ChemPhysChem 12 (17), 3143-3155, 2011 | 358 | 2011 |
All-electron and relativistic pseudopotential studies for the group 1 element polarizabilities from K to element 119 IS Lim, P Schwerdtfeger, B Metz, H Stoll The Journal of chemical physics 122 (10), 2005 | 349 | 2005 |
2018 Table of static dipole polarizabilities of the neutral elements in the periodic table P Schwerdtfeger, JK Nagle Molecular Physics 117 (9-12), 1200-1225, 2019 | 314 | 2019 |
A systematic search for minimum structures of small gold clusters Aun (n= 2–20) and their electronic properties B Assadollahzadeh, P Schwerdtfeger The Journal of chemical physics 131 (6), 2009 | 310 | 2009 |
Gold goes nano—from small clusters to low‐dimensional assemblies P Schwerdtfeger Angewandte Chemie International Edition 42 (17), 1892-1895, 2003 | 296 | 2003 |
Chemical bonding and bonding models of main-group compounds L Zhao, S Pan, N Holzmann, P Schwerdtfeger, G Frenking Chemical reviews 119 (14), 8781-8845, 2019 | 280 | 2019 |
A Comparative Computational Study of Cationic Coinage Metal−Ethylene Complexes (C2H4)M+ (M = Cu, Ag, and Au) RH Hertwig, W Koch, D Schröder, H Schwarz, J Hrušák, P Schwerdtfeger The Journal of Physical Chemistry 100 (30), 12253-12260, 1996 | 275 | 1996 |
Metallophilic Interactions in Closed‐Shell Copper(I) Compounds—A Theoretical Study HL Hermann, G Boche, P Schwerdtfeger Chemistry–A European Journal 7 (24), 5333-5342, 2001 | 263 | 2001 |
The topology of fullerenes P Schwerdtfeger, LN Wirz, J Avery Wiley Interdisciplinary Reviews: Computational Molecular Science 5 (1), 96-145, 2015 | 258 | 2015 |
Relativistic small-core energy-consistent pseudopotentials for the alkaline-earth elements from Ca to Ra IS Lim, H Stoll, P Schwerdtfeger The Journal of chemical physics 124 (3), 2006 | 257 | 2006 |
Relativistic Electronic Structure Theory: Part 2. Applications P Schwerdtfeger Elsevier, 2004 | 233 | 2004 |
Low valencies and periodic trends in heavy element chemistry. a theoretical study of relativistic effects and electron correlation effects in group 13 and period 6 hydrides and … P Schwerdtfeger, GA Heath, M Dolg, MA Bennett Journal of the American Chemical Society 114 (19), 7518-7527, 1992 | 233 | 1992 |
On the reliability of semi-empirical pseudopotentials: simulation of Hartree-Fock and Dirac-Fock results P Fuentealba, H Stoll, L Von Szentpaly, P Schwerdtfeger, H Preuss Journal of Physics B: Atomic and Molecular Physics 16 (11), L323, 1983 | 231 | 1983 |
Colloquium: Superheavy elements: Oganesson and beyond SA Giuliani, Z Matheson, W Nazarewicz, E Olsen, PG Reinhard, ... Reviews of Modern Physics 91 (1), 011001, 2019 | 215 | 2019 |
Nanoporous Graphene Membranes for Efficient 3He/4He Separation AW Hauser, P Schwerdtfeger The journal of physical chemistry letters 3 (2), 209-213, 2012 | 194 | 2012 |
Fully relativistic ab initio calculations of the energies of chiral molecules including parity-violating weak interactions JK Laerdahl, P Schwerdtfeger Physical Review A 60 (6), 4439, 1999 | 187 | 1999 |
Progress toward the first observation of parity violation in chiral molecules by high‐resolution laser spectroscopy B Darquié, C Stoeffler, A Shelkovnikov, C Daussy, A Amy‐Klein, ... Chirality 22 (10), 870-884, 2010 | 186 | 2010 |