Johannes Neugebauer
University of Münster(DE)
Publications by Year
Research Areas
Spectroscopy and Quantum Chemical Studies, Advanced Chemical Physics Studies, Photochemistry and Electron Transfer Studies, Crystallization and Solubility Studies, X-ray Diffraction in Crystallography
Most-Cited Works
- → Quantum chemical calculation of vibrational spectra of large molecules—Raman and IR spectra for Buckminsterfullerene(2002)545 cited
- → Subsystem density‐functional theory(2013)377 cited
- → Fundamental vibrational frequencies of small polyatomic molecules from density-functional calculations and vibrational perturbation theory(2003)280 cited
- → Couplings between electronic transitions in a subsystem formulation of time-dependent density functional theory(2007)234 cited
- → The merits of the frozen-density embedding scheme to model solvatochromic shifts(2005)221 cited
- → Accurate frozen-density embedding potentials as a first step towards a subsystem description of covalent bonds(2010)201 cited
- → A flexible implementation of frozen‐density embedding for use in multilevel simulations(2007)165 cited
- → Photocatalytic E → Z Isomerization of Polarized Alkenes Inspired by the Visual Cycle: Mechanistic Dichotomy and Origin of Selectivity(2017)157 cited
- → An Explicit Quantum Chemical Method for Modeling Large Solvation Shells Applied to Aminocoumarin C151(2005)139 cited
- → Assessment of a simple correction for the long-range charge-transfer problem in time-dependent density-functional theory(2006)136 cited