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Publications in Theoretical Chemistry

Erratum: “Communication: Band Bending at the Interface in Polyethylene-MgO Nanocomposite Dielectric” [J. Chem. Phys. 146, 051101 (2017)]

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2017English

Concentrated Assemblies of Magnetic Nanoparticles in Ionic Liquids

Faraday Discussions
Theoretical ChemistryPhysical
2015English

Uncertainty Quantification Confirms Unreliable Extrapolation Toward High Pressures for United-Atom Mie Λ-6 Force Field

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2018English

Time-Resolved Photoelectron Spectroscopy of Wavepackets Through a Conical Intersection in NO2

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2010English

Positive Feedback Produces Broad Distributions in Maximum Activation Attained Within a Narrow Time Window in Stochastic Biochemical Reactions

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2013English

BDflex: A Method for Efficient Treatment of Molecular Flexibility in Calculating Protein-Ligand Binding Rate Constants From Brownian Dynamics Simulations

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2012English

Pseudobond Parameters for QM/MM Studies Involving Nucleosides, Nucleotides, and Their Analogs

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2013English

Computing of Temporal Information in Spiking Neural Networks With ReRAM Synapses

Faraday Discussions
Theoretical ChemistryPhysical
2019English

A Comparative Analysis of Clustering Algorithms: O2 Migration in Truncated Hemoglobin I From Transition Networks

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2015English

Publisher’s Note: “Electron Correlation in the GK State of the Hydrogen Molecule” [J. Chem. Phys. 127, 074307 (2007)]

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2014English

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