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Publications in Theoretical Chemistry

Localization Switching of a Large Object in a Crowded Cavity: A Rigid/Soft Object Prefers Surface/Inner Positioning

Journal of Chemical Physics

Theoretical Chemistry

English

Translocation of a Heterogeneous Polymer

Journal of Chemical Physics

Theoretical Chemistry

English

A Quasi-Classical Mapping Approach to Vibrationally Coupled Electron Transport in Molecular Junctions

Journal of Chemical Physics

Theoretical Chemistry

English

Conservation Laws and Work Fluctuation Relations in Chemical Reaction Networks

Journal of Chemical Physics

Theoretical Chemistry

English

Assessing the Accuracy of the Isotropic Periodic Sum Method Through Madelung Energy Computation

Journal of Chemical Physics

Theoretical Chemistry

English

Formic and Acetic Acids in a Nitrogen Matrix: Enhanced Stability of the Higher-Energy Conformer

Journal of Chemical Physics

Theoretical Chemistry

English

Principal Component Analysis Acceleration of Rovibrational Coarse-Grain Models for Internal Energy Excitation and Dissociation

Journal of Chemical Physics

Theoretical Chemistry

English

Theory of Molecular Nonadiabatic Electron Dynamics in Condensed Phases

Journal of Chemical Physics

Theoretical Chemistry

English

Calibrated NEXAFS Spectra of Common Conjugated Polymers

Journal of Chemical Physics

Theoretical Chemistry

English

Simulation of the Photodetachment Spectrum of HHfO− Using Coupled-Cluster Calculations

Journal of Chemical Physics

Theoretical Chemistry

English