Peter Schwerdtfeger

发表

2007 RSC Australasian Lectureship Tour

Peter Schwerdtfeger, 2008 .

Naming polyhedra by general face-spirals – Theory and applications to fullerenes and other polyhedral molecules

James Avery, Peter Schwerdtfeger, Lukas N. Wirz, 2017, Fullerenes, Nanotubes and Carbon Nanostructures.

THE PREDICTED INFRARED SPECTRUM OF THE HYPERMETALLIC MOLECULE CaOCa IN ITS LOWEST TWO ELECTRONIC STATES $\tilde{X}\;^{1}\Sigma_{\rm g}^+$ AND $\tilde{a}\;^{3}\Sigma_{\rm u}^+$

Peter Schwerdtfeger, Per Jensen, B. Ostojić, 2012 .

From small fullerenes to the graphene limit: A harmonic force‐field method for fullerenes and a comparison to density functional calculations for Goldberg–Coxeter fullerenes up to C980

Ralf Tonner, Peter Schwerdtfeger, Andreas Hermann, 2016, J. Comput. Chem..

Impact of rigid endoscopic laryngoscopy on electroglottographic and acoustic parameters

Tobias Meyer, Peter Schwerdtfeger, Michael Döllinger, 2011, MAVEBA.

The stability of small helical gold nanorods: A relativistic density functional study

Ian Hamilton, Peter Schwerdtfeger, Xiao-Jing Liu, 2012, J. Comput. Chem..

Program Fullerene: A software package for constructing and analyzing structures of regular fullerenes

James Avery, Peter Schwerdtfeger, Lukas N. Wirz, 2013, Journal of computational chemistry.

The performance of density functional and wavefunction‐based methods for 2D and 3D structures of Au10

Peter Schwerdtfeger, Rolf Schäfer, Daniel A. Götz, 2013, J. Comput. Chem..

Structure and Properties of the Nonface-Spiral Fullerenes T-C380, D3-C384, D3-C440, and D3-C672 and Their Halma and Leapfrog Transforms

James Avery, Ralf Tonner, Peter Schwerdtfeger, 2014, J. Chem. Inf. Model..

A systematic study of rare gas atoms encapsulated in small fullerenes using dispersion corrected density functional theory

Ralf Tonner, Peter Schwerdtfeger, Rebecca Sure, 2015, J. Comput. Chem..

Novel hollow all-carbon structures.

Peter Schwerdtfeger, Lukas N. Wirz, Dage Sundholm, 2015, Nanoscale.

Interpretation of airborne observations of the Albedo

Peter Schwerdtfeger, 2002, Environ. Model. Softw..

On icebergs and their uses

Peter Schwerdtfeger, P. Schwerdtfeger, 1979 .

Theoretical investigations on thallium halides: Relativistic and electron correlation effects in T1X and T1X3 compounds (XF, C1, Br, and I)

Peter Schwerdtfeger, Josef Ischtwan, P. Schwerdtfeger, 1993, J. Comput. Chem..

AIRBORNE METEOROLOGICAL STUDIES AT FLINDERS UNIVERSITY

Peter Schwerdtfeger, Jorg M. Hacker, 1991 .

The topology of fullerenes

Peter Schwerdtfeger, Lukas N. Wirz, James Avery, 2014, Wiley interdisciplinary reviews. Computational molecular science.

Dative and electron‐sharing bonding in transition metal compounds

Gernot Frenking, Peter Schwerdtfeger, Paul Jerabek, 2018, J. Comput. Chem..

Electronic properties for small tin clusters Snn (n ≤ 20) from density functional theory and the convergence toward the solid state

Peter Schwerdtfeger, Sascha Schäfer, Behnam Assadollahzadeh, 2009, J. Comput. Chem..

Dependence of relativistic effects on electronic configuration in the neutral atoms of d‐ and f‐block elements

Peter Schwerdtfeger, W. H. Eugen Schwarz, Jochen Autschbach, 2002, J. Comput. Chem..

Instability of the body-centered cubic lattice within the sticky hard sphere and Lennard-Jones model obtained from exact lattice summations.

Peter Schwerdtfeger, Shaun Cooper, Antony Burrows, 2021, Physical review. E.

The Cuboidal Lattices and their Lattice Sums

Peter Schwerdtfeger, Shaun Cooper, Antony Burrows, 2021 .

Calculating the number of Hamilton cycles in layered polyhedral graphs

Peter Schwerdtfeger, Lukas N. Wirz, James Avery, 2021, Comput. Math. Methods.

Nanoporous Graphene Membranes for Efficient 3He/4He Separation

Peter Schwerdtfeger, A. Hauser, P. Schwerdtfeger, 2012 .

Methane-selective nanoporous graphene membranes for gas purification.

Peter Schwerdtfeger, A. Hauser, P. Schwerdtfeger, 2012, Physical chemistry chemical physics : PCCP.

ATOMIC STATIC DIPOLE POLARIZABILITIES

Peter Schwerdtfeger, P. Schwerdtfeger, 2006 .

Relativistic coupled-cluster and density-functional studies of argon at high pressure

Elke Pahl, Peter Schwerdtfeger, Krista G. Steenbergen, 2017 .

Relativistic and correlation effects in pseudopotential calculations for Br, I, HBr, HI, Br2, and I2

Peter Schwerdtfeger, Hermann Stoll, P. Schwerdtfeger, 1986 .

Lattice structure of mercury: Influence of electronic correlation

Beate Paulus, Peter Schwerdtfeger, Nicola Gaston, 2006 .

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 halides

Peter Schwerdtfeger, Michael Dolg, Graham A. Heath, 1992 .

Packed to the rafters: filling up C60 with rare gas atoms.

Ralf Tonner, Gernot Frenking, Peter Schwerdtfeger, 2011, Chemphyschem : a European journal of chemical physics and physical chemistry.

Strongly bonded water monomers on the ice Ih basal plane: Density-functional calculations

Peter Schwerdtfeger, Wolf Gero Schmidt, Andreas Hermann, 2006 .

Numerical modeling of titanium carbide synthesis in thermal plasma reactors

Peter Schwerdtfeger, Michael J. Liddell, P. Schwerdtfeger, 1994 .

The accuracy of the pseudopotential approximation. II. A comparison of various core sizes for indium pseudopotentials in calculations for spectroscopic constants of InH, InF, and InCl

Peter Schwerdtfeger, Michael Dolg, Thierry Leininger, 1996 .

Relativistic effects in gold chemistry. I. Diatomic gold compounds

Peter Schwerdtfeger, Michael Dolg, Graham A. Bowmaker, 1989 .

Progress toward the first observation of parity violation in chiral molecules by high-resolution laser spectroscopy.

Peter Schwerdtfeger, Christian Chardonnet, Anne Amy-Klein, 2010, Chirality.

The low lying isomers of the copper nonamer cluster, Cu9

Peter Schwerdtfeger, Behnam Assadollahzadeh, Philip R. Bunker, 2008 .

Calculation of Nuclear Quadrupole Coupling Constants

Peter Schwerdtfeger, Witold Nazarewicz, Markus Pernpointner, 2004 .

Theoretical studies on the stability of thallium-carbon .sigma.-bonds in aliphatic organothallium compounds

Peter Schwerdtfeger, Graham A. Bowmaker, Peter D. W. Boyd, 1989 .

Accuracy of energy-adjusted quasirelativistic ab initio pseudopotentials

Peter Schwerdtfeger, Michael Dolg, Russell M. Pitzer, 1993 .

Convergence of the ab initio many-body expansion for the cohesive energy of solid mercury

Beate Paulus, Peter Schwerdtfeger, Nicola Gaston, 2004 .

Properties of small- to medium-sized mercury clusters from a combined ab initio, density-functional, and simulated-annealing study.

Peter Schwerdtfeger, P. Schwerdtfeger, Gloria E. Moyano, 2002, Physical review letters.

Relativistic Effects in Cationic Gold(I) Complexes: A Comparative Study of ab Initio Pseudopotential and Density Functional Methods

Wolfram Koch, Peter Schwerdtfeger, Helmut Schwarz, 1995 .

A Comparative Computational Study of Cationic Coinage Metal−Ethylene Complexes (C2H4)M+ (M = Cu, Ag, and Au)

Wolfram Koch, Peter Schwerdtfeger, Helmut Schwarz, 1996 .

Convergence of the many-body expansion of interaction potentials: From van der Waals to covalent and metallic systems

Peter Schwerdtfeger, Matthias Lein, James J.P. Stewart, 2007 .

Vibrational analyses for CHFClBr and CDFClBr based on high level ab initio calculations.

Guntram Rauhut, Vincenzo Barone, Peter Schwerdtfeger, 2006, The Journal of chemical physics.

Relativistic atomic orbital contractions and expansions: magnitudes and explanations

Peter Schwerdtfeger, Evert Jan Baerends, J. G. Snijders, 1990 .

Relativistic effects in gold chemistry. 4. Gold(III) and gold(V) compounds

Peter Schwerdtfeger, Anthony K. Burrell, Peter D. W. Boyd, 1992 .

A systematic search for minimum structures of small gold clusters Au(n) (n=2-20) and their electronic properties.

Peter Schwerdtfeger, Behnam Assadollahzadeh, P. Schwerdtfeger, 2009, The Journal of chemical physics.