Dmitrij Rappoport
Dyckerhoff (Germany)(DE)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Molecular Junctions and Nanostructures, X-ray Diffraction in Crystallography, Protein Structure and Dynamics
Most-Cited Works
- → Property-optimized Gaussian basis sets for molecular response calculations(2010)1,962 cited
- → TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations(2020)1,096 cited
- → Development of new auxiliary basis functions of the Karlsruhe segmented contracted basis sets including diffuse basis functions (def2-SVPD, def2-TZVPPD, and def2-QVPPD) for RI-MP2 and RI-CC calculations(2014)276 cited
- → Density Functional Methods for Excited States: Equilibrium Structure and Electronic Spectra(2005)258 cited
- → Photoinduced Intramolecular Charge Transfer in 4-(Dimethyl)aminobenzonitrile − A Theoretical Perspective(2004)254 cited
- → TURBOMOLE: Today and Tomorrow(2023)242 cited
- → Complex Chemical Reaction Networks from Heuristics-Aided Quantum Chemistry(2014)156 cited
- → Analytical time-dependent density functional derivative methods within the RI-J approximation, an approach to excited states of large molecules(2005)146 cited
- → Separation of Electromagnetic and Chemical Contributions to Surface-Enhanced Raman Spectra on Nanoengineered Plasmonic Substrates(2010)129 cited
- → On the chemical bonding effects in the Raman response: Benzenethiol adsorbed on silver clusters(2009)105 cited