The Pseudopotential Approximation in Electronic Structure Theory von Schwerdtfeger, Peter

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Chemical Bonding and Bonding Models of Main-Group Compounds von Zhao, Lili, Pan, Sudip, Holzmann, Nicole, Schwerdtfeger, Peter, Frenking, Gernot

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Gold Goes Nano-From Small Clusters to Low-Dimensional Assemblies von Schwerdtfeger, Peter

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The topology of fullerenes von Schwerdtfeger, Peter, Wirz, Lukas N, Avery, James

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Comprehensive theoretical study of all 1812 C60 isomers von Sure, Rebecca, Hansen, Andreas, Schwerdtfeger, Peter, Grimme, Stefan

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Program Fullerene: A software package for constructing and analyzing structures of regular fullerenes von Schwerdtfeger, Peter, Wirz, Lukas, Avery, James

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Relativistic and quantum electrodynamic effects in superheavy elements von Schwerdtfeger, Peter, Pašteka, Lukáš F., Punnett, Andrew, Bowman, Patrick O.

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Helium Tunneling through Nitrogen-Functionalized Graphene Pores: Pressure- and Temperature-Driven Approaches to Isotope Separation von Hauser, Andreas W, Schrier, Joshua, Schwerdtfeger, Peter

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Exploring the chemical nature of super-heavy main-group elements by means of efficient plane-wave density-functional theory von Trombach, Lukas, Ehlert, Sebastian, Grimme, Stefan, Schwerdtfeger, Peter, Mewes, Jan-Michael

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Nuclear Quadrupole Splittings in Rotational Spectra for the Possible Detection of Fine Structure Constant Variations: The Diatomic Gold Halides and Gold Hydride as Case Studies von Schwerdtfeger, Peter

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Influence of Relativistic Effects on Bonding Modes in M(II) Dinuclear Complexes (M = Au, Ag, and Cu) von Jerabek, Paul, von der Esch, Beatriz, Schmidbaur, Hubert, Schwerdtfeger, Peter

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Tipping the Balance between Ligand and Metal Protonation due to Relativistic Effects: Unusually High Proton Affinity in Gold(I) Pincer Complexes von Jerabek, Paul, Vondung, Lisa, Schwerdtfeger, Peter

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Homogeneous Gold Catalysis: Mechanism and Relativistic Effects of the Addition of Water to Propyne von Lein, Matthias, Rudolph, Matthias, Hashmi, Stephen K, Schwerdtfeger, Peter

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Solid Oganesson via a Many-Body Interaction Expansion Based on Relativistic Coupled-Cluster Theory and from Plane-Wave Relativistic Density Functional Theory von Jerabek, Paul, Smits, Odile R, Mewes, Jan-Michael, Peterson, Kirk A, Schwerdtfeger, Peter

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Toward an accurate description of solid-state properties of superheavy elements von Schwerdtfeger, Peter

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Accurate relativistic energy-consistent pseudopotentials for the superheavy elements 111 to 118 including quantum electrodynamic effects von Hangele, Tim, Dolg, Michael, Hanrath, Michael, Cao, Xiaoyan, Schwerdtfeger, Peter

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All-electron and relativistic pseudopotential studies for the group 1 element polarizabilities from K to element 119 von Lim, Ivan S, Schwerdtfeger, Peter, Metz, Bernhard, Stoll, Hermann

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A systematic search for minimum structures of small gold clusters Au n ( n = 2 - 20 ) and their electronic properties von Assadollahzadeh, Behnam, Schwerdtfeger, Peter

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Relativistic energy-consistent pseudopotentials for superheavy elements 119 and 120 including quantum electrodynamic effects von Hangele, Tim, Dolg, Michael, Schwerdtfeger, Peter

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Spin-orbit effects in structural and electronic properties for the solid state of the group-14 elements from carbon to superheavy element 114 von Hermann, Andreas, Furthmüller, Jürgen, Gäggeler, Heinz W., Schwerdtfeger, Peter

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