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Publications in Theoretical Chemistry

Self-Association of Organic Solutes in Solution: A NEXAFS Study of Aqueous Imidazole

Faraday Discussions
Theoretical ChemistryPhysical
2015English

Hysteresis and Change of Transition Temperature in Thin Films of Fe{[Me2Pyrz]3BH}2, a New Sublimable Spin-Crossover Molecule

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2015English

Effect of N-Propyl Substituents on the Emission Properties of Blue Phosphorescent Iridium(iii) Complexes

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2017English

Accurate Excited-State Energetics by a Combination of Monte Carlo Sampling and Equation-Of-Motion Coupled-Cluster Computations

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2019English

Freezing Lines of Colloidal Yukawa Spheres. I. A Rogers-Young Integral Equation Study

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2012English

Publisher's Note: “Investigating Rare Events With Nonequilibrium Work Measurements. II. Transition and Reaction Rates” [J. Chem. Phys. 140, 034115 (2014)]

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2014English

Examining the Aggregation Behavior of Polymer Grafted Nanoparticles Using Molecular Simulation and Theory

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2015English

Communication: Almost Error-Free Resolution-Of-The-Identity Correlation Methods by Null Space Removal of the Particle-Hole Interactions

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2017English

Analysis of Nucleation Using Mean First-Passage Time Data From Molecular Dynamics Simulation

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2016English

Krylov Subspace Methods for Computing Hydrodynamic Interactions in Brownian Dynamics Simulations

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2012English

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