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Publications in Theoretical Chemistry

Longitudinal Relaxation in Dipole-Coupled Homonuclear Three-Spin Systems: Distinct Correlations and Odd Spectral Densities

Journal of Chemical Physics

Theoretical Chemistry

English

The Chemical Dynamics of Nanosensors Capable of Single-Molecule Detection

Journal of Chemical Physics

Theoretical Chemistry

English

Nonequilibrium All-Atom Molecular Dynamics Simulation of the Bubble Cavitation and Application to Dissociate Amyloid Fibrils

Journal of Chemical Physics

Theoretical Chemistry

English

Transaminases Applied to the Synthesis of High Added-Value Enantiopure Amines

Organic Process Research and Development

Organic Chemistry

Theoretical Chemistry

English

Ab Initio Electronic Transport and Thermoelectric Properties of Solids From Full and Range-Separated Hybrid Functionals

Journal of Chemical Physics

Theoretical Chemistry

English

Erratum: “Dipolar Sticky Hard Spheres Within the Percus–Yevick Approximation Plus Orientational Linearization” [J. Chem. Phys. 133, 034511 (2010)]

Journal of Chemical Physics

Theoretical Chemistry

English

Structure and Dynamics in Liquid Bismuth and Bin Clusters: A Density Functional Study

Journal of Chemical Physics

Theoretical Chemistry

English

The Au(111)/Il Interfacial Nanostructure in the Presence of Precursors and It's Influence on the Electrodeposition Process

Faraday Discussions

Theoretical Chemistry

English

CASSCF Linear Response Calculations for Large Open-Shell Molecules

Journal of Chemical Physics

Theoretical Chemistry

English

Carbon Nanotube With Square Cross-Section: An Ab Initio Investigation

Journal of Chemical Physics

Theoretical Chemistry

English