| Lester Andrews |
Reactions of Laser-Ablated U Atoms with CO and Ar, Kr, and Xe.
Infrared Spectra and Density Functional Calculations for Triplet CUO |
| Evert-Jan Baerends |
Time-Dependent DFT Calculations for Excitation Spectra of Porphyrines and Phthalocyanines |
| Knut Fægri |
4-Component Calculations for Molecules with Heavy Atoms |
| Jürgen Gauß |
Recent Advances in the Accurate Calculation of NMR Parameters |
| Bernd Heß |
Calculations on Transition Metal Complexes |
| Jukka Jokisaari |
Experimental Determination of NMR Tensors Utilizing LCNMR Spectroscopy and Comparison of Results with the Computed Ones |
| Uzi Kaldor |
Intermediate Hamiltonian Coupled Cluster Method: Even More Accurate Transition Energies of Heavy Atoms |
| Martin Kaupp |
Density Functional Calculations of EPR Parameters |
| Thomas M. Klapötke |
Computational and Experimental Nitrogen and Halogen Chemistry |
| Werner Kutzelnigg |
Relativistic Theory in Terms of Two-component Spinors |
| Leif Laaksonen |
From Numerical Wavefunctions to Molecular Graphics |
| Sven Larsson |
Electron Pair Currents in Electronic Ground States |
| Leonti Labzowsky |
QED Effects in Heavy Atoms |
| Paolo Lazzeretti |
Theoretical Determination of Nuclear Magnetic Shielding in Planar Benzene Isomers |
| Lawrence Lohr |
REX: A Stepping Stone from Hückel Theory to Relativistic Quantum Chemistry,Proton Spin Relaxation in Paramagnetic Complexes |
| Per-Åke Malmqvist |
Spin-Orbit Calculations from Spin-Free RASSCF Wave Functions |
| Colin Marsden |
Computational Studies of Systems Related to the Uranyl Ion, UO22+ |
| Jeppe Olsen |
Nonrelativistic and Relativistic General Coupled-Cluster Theory |
| Kenneth Ruud |
Vibrational Effects on Electric and Magnetic Properties of Large Molecules |
| Trond Saue |
Linear Response at the 4-component Relativistic Density Functional Level: Theory and Applications |
| Annette Schier |
Closed-shell Interactions Between Metals: Excitements and Disappointments in the Laboratory of a Gold Chemist |
| Helmut Schwarz |
Unbottleable Molecules Generated by Collision Induced Electron Transfer in the Gas Phase: An Intersection of Experiment and Theory |
| Peter Schwerdtfeger |
Nuclear Multipole Moments - A Tortuous Way for Quantum Chemistry |
| Konrad Seppelt |
Chemistry of the Noble Gases and Noble Metals |
| Hermann Stoll |
Relativistic Energy-consistent Pseudopotentials: New Developments and Benchmark Calculations |
| Jonathan Tennyson |
High Accuracy Calculations of the Rotation-vibration Spectra |
| Walter Thiel |
Identification and Characterisation of Reactive Molecules: Interplay of Ab Initio Calculations and Spectroscopic Studies |
| Lucas Visscher |
Relativity and Electron Correlation in Molecules. Calculation of Molecular Properties Using the Dirac-Coulomb-Breit Hamiltonian |
| Maria Barysz |
Exact Infinite-order Two-component Theory for Relativistic Quantum Chemistry |
| Henrik Bohr |
Transitions in the Quantum Protein |
| Jerzy Cioslowski |
Recent Advances in Density Matrix Functional Theory |
| Thomas Heine |
Calculation of NMR Chemical Shifts Using a Density-Functional Based
Tight-Binding Scheme - Application to Fullerene Derivatives |
| Karl Jalkanen |
Experimental and Theoretical Analysis of the Vibrational
Absorption (VA), Vibrational Circular Dichroism (VCD),
Raman and Raman Optical Activity (ROA) Spectra of Amino
Acids and Peptides in Aqueous Solution |
| Wenjian Liu |
Comprehensive Relativistic ab initio and density functional studies
on PtH, PtF, PtCl, and Pt(NH3)2Cl2 |
| Paul Maslen |
Symmetry Based Determination of Relativistic Wave Equations |
| Mika Pettersson |
Exploring the Frontiers of Rare Gas Reactivity: Experimental and Computational Characterization of HArF and HKrF |
| Ulrike Salzner |
Theoretical Design of Conducting Polymers |
| Ajit J. Thakkar |
Electron Momentum Densities Near Zero Momentum |
| Miroslav Urban |
Accurate Coupled Cluster Calculations of Molecular Properties:
Electron Affinities and Polarizabilities of O2 and CN and the Second Hyperpolarizability of O2 |
