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Publications in Theoretical Chemistry

Ab Initio Interatomic Decay Widths of Excited States by Applying Stieltjes Imaging to Lanczos Pseudospectra

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2011English

An Algorithm for Calculating Atomic D States With Explicitly Correlated Gaussian Functions

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2011English

Comment on “The Dependence of Homogeneous Nucleation Rate on Supersaturation” [J. Chem. Phys. 141, 024307 (2014)]

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2014English

Thermodynamics of the Polaron Master Equation at Finite Bias

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2015English

Leading Correction to the Local Density Approximation of the Kinetic Energy in One Dimension

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2020English

Origin of the Diffuse Vibrational Signature of a Cyclic Intramolecular Proton Bond: Anharmonic Analysis of Protonated 1,8-Disubstituted Naphthalene Ions

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2013English

Concluding Remarks: Progress Toward the Design of Solid Catalysts

Faraday Discussions
Theoretical ChemistryPhysical
2016English

Electron Impact Ionization and Multiphoton Ionization of Doped Superfluid Helium Droplets: A Comparison

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2016English

Selective Hydrogenation of Nitrostyrene to Aminostyrene Over Pt/TiO2 Catalysts: Effects of Pressurized Carbon Dioxide and Catalyst Preparation Conditions

Journal of Supercritical Fluids
Theoretical ChemistryPhysicalChemical EngineeringCondensed Matter Physics
2011English

Interpretation of Young’s Equation for a Liquid Droplet on a Flat and Smooth Solid Surface: Mechanical and Thermodynamic Routes With a Simple Lennard-Jones Liquid

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2019English

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