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Publications in Theoretical Chemistry

Communication: Manipulating the Singlet-Triplet Equilibrium in Organic Biradical Materials

Journal of Chemical Physics

Theoretical Chemistry

English

Local Structural Fluctuations, Hydrogen Bonding and Structural Transitions in Supercritical Water

Journal of Supercritical Fluids

Theoretical Chemistry

Chemical Engineering

Condensed Matter Physics

English

Coarse-Grained Simulations of Polyelectrolyte Complexes: MARTINI Models for Poly(styrene Sulfonate) and Poly(diallyldimethylammonium)

Journal of Chemical Physics

Theoretical Chemistry

English

Homogeneous Water Nucleation in a Laminar Flow Diffusion Chamber

Journal of Chemical Physics

Theoretical Chemistry

English

High-Resolution Photoelectron Spectroscopy of the Pyridinide Isomers

Journal of Chemical Physics

Theoretical Chemistry

English

Communication: Translational Brownian Motion for Particles of Arbitrary Shape

Journal of Chemical Physics

Theoretical Chemistry

English

Electronic Coupling Calculation and Pathway Analysis of Electron Transfer Reaction Using Ab Initio Fragment-Based Method. I. FMO–LCMO Approach

Journal of Chemical Physics

Theoretical Chemistry

English

Colloidal Quantum Dots for Infrared Detection Beyond Silicon

Journal of Chemical Physics

Theoretical Chemistry

English

“Divide and Conquer” Semiclassical Molecular Dynamics: A Practical Method for Spectroscopic Calculations of High Dimensional Molecular Systems

Journal of Chemical Physics

Theoretical Chemistry

English

Erratum: “Fickian Yet Non-Gaussian Behaviour: A Dominant Role of the Intermittent Dynamics” [J. Chem. Phys. 146, 134504 (2017)]

Journal of Chemical Physics

Theoretical Chemistry

English