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Publications in Theoretical Chemistry

Imperfect Mixing as a Dominant Factor Leading to Stochastic Behavior: A New System Exhibiting Crazy Clock Behavior

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

A Rapid Scan Vacuum FTIR Method for Determining Diffusion Coefficients in Viscous and Glassy Aerosol Particles

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

High Cross-Plane Thermoelectric Performance of Metallo-Porphyrin Molecular Junctions

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Modeling of Aromatics Formation in Fuel-Rich Methane Oxy-Combustion With an Automatically Generated Pressure-Dependent Mechanism

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Correction: Analysis of Computational Models for an Accurate Study of Electronic Excitations in GFP

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

How to Control the Scaling of CaCO3: A “Fingerprinting Technique” to Classify Additives

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

MOLC. A Reversible Coarse Grained Approach Using Anisotropic Beads for the Modelling of Organic Functional Materials.

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

The Oxidation of Copper Catalysts During Ethylene Epoxidation

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Solvent Reorganization Triggers Photo-Induced Solvated Electron Generation in Solvated Phenol

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Does the Endohedral Borospherene Supersalt FLi2@B39 Maintain the “Super” Properties of Its Subunits?

Physical Chemistry Chemical Physics

Theoretical Chemistry

English