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Publications in Theoretical Chemistry

A Semianalytical “Reverse” Approach to Link Structure and Microscopic Interactions in Two-Yukawa Competing Fluids

Journal of Chemical Physics

Theoretical Chemistry

English

Identification of Unavoided Crossings in Nonadiabatic Photoexcited Dynamics Involving Multiple Electronic States in Polyatomic Conjugated Molecules

Journal of Chemical Physics

Theoretical Chemistry

English

Analytic Energy Gradients in Combined Second Order Møller-Plesset Perturbation Theory and Conductorlike Polarizable Continuum Model Calculation

Journal of Chemical Physics

Theoretical Chemistry

English

Ultra-Nonlocality in Density Functional Theory for Photo-Emission Spectroscopy

Journal of Chemical Physics

Theoretical Chemistry

English

Toward Photochemistry of Integrated Heterogeneous Systems

Journal of Chemical Physics

Theoretical Chemistry

English

Phasor Based Single-Molecule Localization Microscopy in 3D (pSMLM-3D): An Algorithm for MHz Localization Rates Using Standard CPUs

Journal of Chemical Physics

Theoretical Chemistry

English

Collective Water Dynamics in the First Solvation Shell Drive the NMR Relaxation of Aqueous Quadrupolar Cations

Journal of Chemical Physics

Theoretical Chemistry

English

Local Vibrational Properties of GaAs Studied by Extended X-Ray Absorption Fine Structure

Journal of Chemical Physics

Theoretical Chemistry

English

Inhomogeneous Charge Transfer Within Monolayer Zinc Phthalocyanine Absorbed on TiO2(110)

Journal of Chemical Physics

Theoretical Chemistry

English

Elastic Properties of Polyunsaturated Phosphatidylethanolamines Influence Rhodopsin Function

Faraday Discussions

Theoretical Chemistry

English