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Publications in Theoretical Chemistry

Molecular Dynamics of the Bacillus Subtilis Expansin EXLX1: Interaction With Substrates and Structural Basis of the Lack of Activity of Mutants

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Emission Enhancement and Lifetime Modification of Phosphorescence on Silver Nanoparticle Aggregates

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Ultrafast Spectroscopy of Linear Carbon Chains: The Case of Dinaphthylpolyynes

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Automatic Mechanism Generation for Pyrolysis of Di-Tert-Butyl Sulfide

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Optical Writing and Reading With a Photoactivatable Carbazole

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

How Accurate Are Static Polarizability Predictions From Density Functional Theory? An Assessment Over 132 Species at Equilibrium Geometry.

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Vibrational Ladder-Climbing in Surface-Enhanced, Ultrafast Infrared Spectroscopy

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Proton Conductivity of Columnar Ceria Thin-Films Grown by Chemical Vapor Deposition

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Visible Room-Temperature Phosphorescence of Pure Organic Crystals via a Radical-Ion-Pair Mechanism

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Chemically-Driven Convective Dissolution

Physical Chemistry Chemical Physics

Theoretical Chemistry

English