Discover open access scientific publications

Search, annotate, share and cite publications

Publications in Theoretical Chemistry

On Fluid-Solid Direct Coexistence Simulations: The Pseudo-Hard Sphere Model

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Macroscopic Relations for Microscopic Properties at the Interface Between Solid Substrates and Dense Fluids

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

High-Resolution Fourier-Transform Infrared Spectroscopy of the Coriolis Coupled Ground State and Ν7 Mode of Ketenimine

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Multiscale Analysis of the Effect of Surface Charge Pattern on a Nanopore’s Rectification and Selectivity Properties: From All-Atom Model to Poisson-Nernst-Planck

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Ab Initio Quantum Dynamical Study of the Multi-State Nonadiabatic Photodissociation of Pyrrole

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Exact Evaluation of the Depletion Force Between Nanospheres in a Polydisperse Polymer Fluid Under Θ Conditions

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Direct Simulation of Proton-Coupled Electron Transfer Across Multiple Regimes

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Coarse-Grained Modeling of the Structural States and Transition Underlying the Powerstroke of Dynein Motor Domain

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Optimization by Response Surface Methodology (RSM) of the Kharasch–Sosnovsky Oxidation of Valencene

Organic Process Research and Development

Organic Chemistry

Theoretical Chemistry

Physical

2014

English

An Effective Rate Equation Approach to Reaction Kinetics in Small Volumes: Theory and Application to Biochemical Reactions in Nonequilibrium Steady-State Conditions

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

On Fluid-Solid Direct Coexistence Simulations: The Pseudo-Hard Sphere Model

Macroscopic Relations for Microscopic Properties at the Interface Between Solid Substrates and Dense Fluids

High-Resolution Fourier-Transform Infrared Spectroscopy of the Coriolis Coupled Ground State and Ν7 Mode of Ketenimine

Multiscale Analysis of the Effect of Surface Charge Pattern on a Nanopore’s Rectification and Selectivity Properties: From All-Atom Model to Poisson-Nernst-Planck

Ab Initio Quantum Dynamical Study of the Multi-State Nonadiabatic Photodissociation of Pyrrole

Exact Evaluation of the Depletion Force Between Nanospheres in a Polydisperse Polymer Fluid Under Θ Conditions

Direct Simulation of Proton-Coupled Electron Transfer Across Multiple Regimes

Coarse-Grained Modeling of the Structural States and Transition Underlying the Powerstroke of Dynein Motor Domain

Optimization by Response Surface Methodology (RSM) of the Kharasch–Sosnovsky Oxidation of Valencene

An Effective Rate Equation Approach to Reaction Kinetics in Small Volumes: Theory and Application to Biochemical Reactions in Nonequilibrium Steady-State Conditions