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Peter Schwerdtfeger
Peter Schwerdtfeger
Dist. Professor, Theoretical Chemistry and Physics, NZIAS, Massey University, Auckland, New Zealand
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Relativistic effects in gold chemistry. I. Diatomic gold compounds.
P Schwerdtfeger, M Dolg, W Schwarz
J. Chem. Phys 91, 1762-1774, 1989
9231989
Relativistic effects in gold chemistry. I. Diatomic gold compounds
P Schwerdtfeger, M Dolg, WHE Schwarz, GA Bowmaker, PDW Boyd
The Journal of chemical physics 91 (3), 1762-1774, 1989
8871989
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
6221996
Accuracy of energy-adjusted quasi-relativistic abinitio pseudopotentials-all-electron and pseudopotential benchmark calculations for hg, hgh and their cations
U Haussermann, M Dolg, H Stoll, H Preuss, P Schwerdtfeger, RM Pitzer
Molecular Physics 78 (5), 1211-1224, 1993
5081993
The pseudopotential approximation in electronic structure theory
P Schwerdtfeger
ChemPhysChem 12 (17), 3143-3155, 2011
3412011
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
3402005
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
3042009
Gold goes nano—from small clusters to low‐dimensional assemblies
P Schwerdtfeger
Angewandte Chemie International Edition 42 (17), 1892-1895, 2003
2922003
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
2812019
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
2721996
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
2622001
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
2432019
The topology of fullerenes
P Schwerdtfeger, LN Wirz, J Avery
Wiley Interdisciplinary Reviews: Computational Molecular Science 5 (1), 96-145, 2015
2422015
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), 034107, 2006
2352006
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
2281992
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
2251983
Relativistic Electronic Structure Theory: Part 2. Applications
P Schwerdtfeger
Elsevier, 2004
2162004
Colloquium: Superheavy elements: Oganesson and beyond
SA Giuliani, Z Matheson, W Nazarewicz, E Olsen, PG Reinhard, ...
Reviews of Modern Physics 91 (1), 011001, 2019
2002019
Nanoporous Graphene Membranes for Efficient 3He/4He Separation
AW Hauser, P Schwerdtfeger
The journal of physical chemistry letters 3 (2), 209-213, 2012
1942012
Relativistic atomic orbital contractions and expansions: magnitudes and explanations
EJ Baerends, WHE Schwarz, P Schwerdtfeger, JG Snijders
Journal of Physics B: Atomic, Molecular and Optical Physics 23 (19), 3225, 1990
1831990
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