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Publications in Theoretical Chemistry

Efficient Geometric Integrators for Nonadiabatic Quantum Dynamics. I. The Adiabatic Representation

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Resolution Control in a Continuous Preferential Crystallization Process

Organic Process Research and Development

Organic Chemistry

Theoretical Chemistry

Physical

2019

English

Visualising and Controlling the Flow in Biomolecular Systems at and Between Multiple Scales: From Atoms to Hydrodynamics at Different Locations in Time and Space

Faraday Discussions

Theoretical Chemistry

Physical

2014

English

Centrality Measures Highlight Proton Traps and Access Points to Proton Highways in Kinetic Monte Carlo Trajectories

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Phase Diagram of Ice Polymorphs Under Negative Pressure Considering the Limits of Mechanical Stability

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Two-Dimensional to Three-Dimensional Structural Transition of Gold Cluster Au10 During Soft Landing on TiO2 Surface and Its Effect on CO Oxidation

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Resonant Inelastic X-Ray Scattering of Methyl Chloride at the Chlorine K Edge

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

A Study of the Accuracy of Moment-Closure Approximations for Stochastic Chemical Kinetics

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Exploring the Potential Energy Landscape of the Thomson Problem via Newton Homotopies

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

An Analytical Theory to Describe Sequence-Specific Inter-Residue Distance Profiles for Polyampholytes and Intrinsically Disordered Proteins

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Amanote Research

Discover open access scientific publications

Search, annotate, share and cite publications

Publications in Theoretical Chemistry

Efficient Geometric Integrators for Nonadiabatic Quantum Dynamics. I. The Adiabatic Representation

Resolution Control in a Continuous Preferential Crystallization Process

Visualising and Controlling the Flow in Biomolecular Systems at and Between Multiple Scales: From Atoms to Hydrodynamics at Different Locations in Time and Space

Centrality Measures Highlight Proton Traps and Access Points to Proton Highways in Kinetic Monte Carlo Trajectories

Phase Diagram of Ice Polymorphs Under Negative Pressure Considering the Limits of Mechanical Stability

Two-Dimensional to Three-Dimensional Structural Transition of Gold Cluster Au10 During Soft Landing on TiO2 Surface and Its Effect on CO Oxidation

Resonant Inelastic X-Ray Scattering of Methyl Chloride at the Chlorine K Edge

A Study of the Accuracy of Moment-Closure Approximations for Stochastic Chemical Kinetics

Exploring the Potential Energy Landscape of the Thomson Problem via Newton Homotopies

An Analytical Theory to Describe Sequence-Specific Inter-Residue Distance Profiles for Polyampholytes and Intrinsically Disordered Proteins