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Publications in Theoretical Chemistry

Local Structure of Percolating Gels at Very Low Volume Fractions

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2017English

Oxygen and Sulfur Adsorption on Vicinal Surfaces of Copper and Silver: Preferred Adsorption Sites

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2018English

Correlations in Liquid Water for the TIP3P-Ewald, TIP4P-2005, TIP5P-Ewald, and SWM4-NDP Models

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2012English

Role of the Triplet State in the Green Emission Peak of Polyfluorene Films: A Time Evolution Study

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2010English

Erratum: “A Search for Manifestation of Two Types of Collective Excitations in Dynamic Structure of a Liquid Metal: Ab Initio Study of Collective Excitations in Liquid Na” [J. Chem. Phys. 144, 194501 (2016)]

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2016English

Nested Sampling of Isobaric Phase Space for the Direct Evaluation of the Isothermal-Isobaric Partition Function of Atomic Systems

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2015English

Analytic Evaluation of the Dipole Hessian Matrix in Coupled-Cluster Theory

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2013English

Challenges in the Development of Bio-Based Solvents: A Case Study on Methyl(2,2-Dimethyl-1,3-Dioxolan-4-Yl)methyl Carbonate as an Alternative Aprotic Solvent

Faraday Discussions
Theoretical ChemistryPhysical
2017English

The EXP Pair-Potential System. III. Thermodynamic Phase Diagram

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2019English

Erratum: “A Transformed Framework for Dynamic Correlation in Multireference Problems” [J. Chem. Phys. 142, 124107 (2015)]

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2016English

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