Area of research
Atomic and Molecular Physics, and Optics · Electrical and Electronic Engineering
Research interest
Research interests include Molecular Junctions and Nanostructures, Spectroscopy and Quantum Chemical Studies, Advanced Chemical Physics Studies, and Photochemistry and Electron Transfer Studies.
A new fundamental type of conformational isomerism
van der Waals Forces Control the Internal Chemical Structure of Monolayers within the Lamellar Materials CuInP<sub>2</sub>S<sub>6</sub> and CuBiP<sub>2</sub>Se<sub>6</sub>
Competition of van der Waals and chemical forces on gold–sulfur surfaces and nanoparticles
Gold surfaces and nanoparticles are protected by Au(0)–thiyl species and are destroyed when Au(I)–thiolates form
Challenges facing an understanding of the nature of low-energy excited states in photosynthesis
A priori calculations of the free energy of formation from solution of polymorphic self-assembled monolayers
Non-adiabatic effects in thermochemistry, spectroscopy and kinetics: the general importance of all three Born–Oppenheimer breakdown corrections
Ultraviolet photodissociation action spectroscopy of the N-pyridinium cation
Recommending Hartree–Fock Theory with London-Dispersion and Basis-Set-Superposition Corrections for the Optimization or Quantum Refinement of Protein Structures
Assignment of the Q-Bands of the Chlorophylls: Coherence Loss via Qx − Qy Mixing
Efficient Methods for the Quantum Chemical Treatment of Protein Structures: The Effects of London-Dispersion and Basis-Set Incompleteness on Peptide and Water-Cluster Geometries
Challenges for the Accurate Simulation of Anisotropic Charge Mobilities through Organic Molecular Crystals: The β Phase of <i>mer</i>-Tris(8-hydroxyquinolinato)aluminum(III) (Alq3) Crystal