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Publications in Theoretical Chemistry

Comparison of X-Ray Absorption Spectra Between Water and Ice: New Ice Data With Low Pre-Edge Absorption Cross-Section

Journal of Chemical Physics

Theoretical Chemistry

English

An Efficient Way to Model Complex Magnetite: Assessment of SCC-DFTB Against DFT

Journal of Chemical Physics

Theoretical Chemistry

English

Anomalous Nonlinear Damping in Metallic Glasses: Signature of Elasticity Breakdown

Journal of Chemical Physics

Theoretical Chemistry

English

Exploring the Origins of Carbon in Terrestrial Worlds†

Faraday Discussions

Theoretical Chemistry

English

High-Order Sampling Schemes for Path Integrals and Gaussian Chain Simulations of Polymers

Journal of Chemical Physics

Theoretical Chemistry

English

A Molecular View of Vapor Deposited Glasses

Journal of Chemical Physics

Theoretical Chemistry

English

Identification of Structure in Condensed Matter With the Topological Cluster Classification

Journal of Chemical Physics

Theoretical Chemistry

English

Efficient Bayesian Estimation of Markov Model Transition Matrices With Given Stationary Distribution

Journal of Chemical Physics

Theoretical Chemistry

English

The OH Stretching Spectrum of Warm Water Clusters

Journal of Chemical Physics

Theoretical Chemistry

English

Communications: Development and Characterization of a Source of Rotationally Cold, Enriched Para-H3+

Journal of Chemical Physics

Theoretical Chemistry

English