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Publications in Theoretical Chemistry

Trading Sensitivity for Information: Carr–Purcell–Meiboom–Gill Acquisition in Solid-State NMR

Journal of Chemical Physics

Theoretical Chemistry

English

Excited State Dynamics of Photoactive Yellow Protein Chromophores Elucidated by High-Resolution Spectroscopy and Ab Initio Calculations

Faraday Discussions

Theoretical Chemistry

English

Two Structural Relaxations in Protein Hydration Water and Their Dynamic Crossovers

Journal of Chemical Physics

Theoretical Chemistry

English

Correlation Between Structural Phase Transition and Surface Chemical Properties of Thin Film SrRuO3/SrTiO3 (001)

Journal of Chemical Physics

Theoretical Chemistry

English

A Non-Scale-Invariant Form for Coarse-Grained Diffusion-Reaction Equations

Journal of Chemical Physics

Theoretical Chemistry

English

Electronic Properties of Linear Carbon Chains: Resolving the Controversy

Journal of Chemical Physics

Theoretical Chemistry

English

Improved Parameterization of Interatomic Potentials for Rare Gas Dimers With Density-Based Energy Decomposition Analysis

Journal of Chemical Physics

Theoretical Chemistry

English

Charge Separation at Nanoscale Interfaces: Energy-Level Alignment Including Two-Quasiparticle Interactions

Journal of Chemical Physics

Theoretical Chemistry

English

Shortcomings of the Bond Orientational Order Parameters for the Analysis of Disordered Particulate Matter

Journal of Chemical Physics

Theoretical Chemistry

English

Excited Electronic States From a Variational Approach Based on Symmetry-Projected Hartree–Fock Configurations

Journal of Chemical Physics

Theoretical Chemistry

English