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Publications in Theoretical Chemistry

First-Principles Modeling of Chemistry in Mixed Solvents: Where to Go From Here?

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2020English

First-Principles Prediction of the Raman Shifts in Parahydrogen Clusters

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2014English

Highly Stable Noble Metal Nanoparticles Dispersible in Biocompatible Solvents: Synthesis of Cationic Phosphonium Gold Nanoparticles in Water and DMSO

Faraday Discussions
Theoretical ChemistryPhysical
2016English

Accelerated Direct Semiclassical Molecular Dynamics Using a Compact Finite Difference Hessian Scheme

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2013English

Practical Thermodynamics of Yukawa Systems at Strong Coupling

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2015English

Symmetry-Breaking in Cumulative Measures of Shapes of Polymer Models

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2010English

Periodic Modeling of Zeolite Ti-Lta

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2017English

Comparison of Two Generation-Recombination Terms in the Poisson-Nernst-Planck Model

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2012English

Cholesterol Enhances Surface Water Diffusion of Phospholipid Bilayers

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2014English

The Vibration-Rotation-Tunneling Levels of N2–H2O and N2–D2O

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2015English

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